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4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

CAS: 478259-36-8

Formula: C14H15N3O2

SMILES: CCC(=O)C1=CNC(=C1)C(=O)NCC1=CN=CC=C1

IUPAC: 4-propanoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C14H15N3O2/c1-2-13(18)11-6-12(16-9-11)14(19)17-8-10-4-3-5-15-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,19)

Composition: C (65.36%), H (5.88%), N (16.33%), O (12.44%)

Molar Mass: 257.293

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.116426735
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VTKMDTYNYACQQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.15
Topological Polar Surface Area 74.85
Polarizability 26.99
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478259-36-8 $51.35-$524.40$51.35$63.37$86.31$524.40
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