N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H17ClN2O2 — CID 77081404

IUPACN-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2(Cc3ccc(Cl)cc3)CC2)c1=O
InChIInChI=1S/C17H17ClN2O2/c1-20-10-2-3-14(16(20)22)15(21)19-17(8-9-17)11-12-4-6-13(18)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyGQPFYHIKONYDOZ-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.54
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 77081404) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID77081404
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2(Cc3ccc(Cl)cc3)CC2)c1=O
InChIInChI=1S/C17H17ClN2O2/c1-20-10-2-3-14(16(20)22)15(21)19-17(8-9-17)11-12-4-6-13(18)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyGQPFYHIKONYDOZ-UHFFFAOYSA-N
XLogP2.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 77081404) is N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NC2(Cc3ccc(Cl)cc3)CC2)c1=O.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GQPFYHIKONYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-20-10-2-3-14(16(20)22)15(21)19-17(8-9-17)11-12-4-6-13(18)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 77081404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).