5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide

C21H24BrClN2O2 — CID 53238078

IUPAC5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)N[C@H](c2ccccc2Cl)C2CC2)c(C)c(Br)c1=O
InChIInChI=1S/C21H24BrClN2O2/c1-4-11-25-13(3)17(12(2)18(22)21(25)27)20(26)24-19(14-9-10-14)15-7-5-6-8-16(15)23/h5-8,14,19H,4,9-11H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKeyNXTRCFFQCCIQLD-IBGZPJMESA-N
MW451.79 g/mol
LogP5.17
Rot. Bonds6

About 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide

5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide (PubChem CID 53238078) has the molecular formula C21H24BrClN2O2 and a molecular weight of 451.79 g/mol. Its IUPAC name is 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
PubChem CID53238078
Molecular FormulaC21H24BrClN2O2
Molecular Weight451.79 g/mol
Exact Mass450.07
IUPAC Name5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)N[C@H](c2ccccc2Cl)C2CC2)c(C)c(Br)c1=O
InChIInChI=1S/C21H24BrClN2O2/c1-4-11-25-13(3)17(12(2)18(22)21(25)27)20(26)24-19(14-9-10-14)15-7-5-6-8-16(15)23/h5-8,14,19H,4,9-11H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKeyNXTRCFFQCCIQLD-IBGZPJMESA-N
XLogP5.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.79
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-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

Related Compounds

5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 75986198
5-bromo-N-[1-(3-chlorophenyl)propyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 75986193
5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
CID 75986440
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 53239442
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
CID 65425524
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 92508260
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 53239447
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide (CID 53238078) is 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide is CCCn1c(C)c(C(=O)N[C@H](c2ccccc2Cl)C2CC2)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is NXTRCFFQCCIQLD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24BrClN2O2/c1-4-11-25-13(3)17(12(2)18(22)21(25)27)20(26)24-19(14-9-10-14)15-7-5-6-8-16(15)23/h5-8,14,19H,4,9-11H2,1-3H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 451.79 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(S)-(2-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 53238078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).