5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide

C16H18ClN3O — CID 109223277

IUPAC5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cncc(C(=O)NC(C)C)c1
InChIInChI=1S/C16H18ClN3O/c1-10(2)19-16(21)12-6-14(9-18-8-12)20-15-7-13(17)5-4-11(15)3/h4-10,20H,1-3H3,(H,19,21)
InChIKeyFAMBHVAKDWZRTL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.93
Rot. Bonds4

About 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide

5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223277) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223277
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cncc(C(=O)NC(C)C)c1
InChIInChI=1S/C16H18ClN3O/c1-10(2)19-16(21)12-6-14(9-18-8-12)20-15-7-13(17)5-4-11(15)3/h4-10,20H,1-3H3,(H,19,21)
InChIKeyFAMBHVAKDWZRTL-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324
N-(2,5-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223537
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223294
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide (CID 109223277) is 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(Cl)cc1Nc1cncc(C(=O)NC(C)C)c1.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is FAMBHVAKDWZRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)19-16(21)12-6-14(9-18-8-12)20-15-7-13(17)5-4-11(15)3/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).