2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide

C17H16ClN3O2 — CID 47047663

IUPAC2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-2-3-11(16(22)20-13-4-5-13)8-14(10)21-17(23)12-6-7-19-15(18)9-12/h2-3,6-9,13H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeyRMWDKVKYFKXJFR-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide

2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide (PubChem CID 47047663) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
PubChem CID47047663
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-2-3-11(16(22)20-13-4-5-13)8-14(10)21-17(23)12-6-7-19-15(18)9-12/h2-3,6-9,13H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeyRMWDKVKYFKXJFR-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide (CID 47047663) is 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide?
The InChIKey is RMWDKVKYFKXJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-2-3-11(16(22)20-13-4-5-13)8-14(10)21-17(23)12-6-7-19-15(18)9-12/h2-3,6-9,13H,4-5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide?
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47047663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).