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methyl 2-(2,2-dimethylpropanamido)pyridine-4-carboxylate

methyl 2-(2,2-dimethylpropanamido)pyridine-4-carboxylate

CAS: 639091-75-1

Formula: C12H16N2O3

SMILES: COC(=O)C1=CC(NC(=O)C(C)(C)C)=NC=C1

IUPAC: methyl 2-(2,2-dimethylpropanamido)pyridine-4-carboxylate

InChI: InChI=1S/C12H16N2O3/c1-12(2,3)11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.116092383
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VIINVAGIQKVNOV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.81
Topological Polar Surface Area 68.29
Polarizability 24.29
Ring Count 1
Rotatable Bond Count 4

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