6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide

C21H28ClN3O — CID 142877822

IUPAC6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
SMILESCCCC(CC)NC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
InChIInChI=1S/C21H28ClN3O/c1-5-8-16(6-2)25-21(26)19-13-23-20(12-18(19)14(3)4)24-17-10-7-9-15(22)11-17/h7,9-14,16H,5-6,8H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyYQQSJFZTDAXLHH-UHFFFAOYSA-N
MW373.93 g/mol
LogP5.91
Rot. Bonds8

About 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide

6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 142877822) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
PubChem CID142877822
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
SMILESCCCC(CC)NC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
InChIInChI=1S/C21H28ClN3O/c1-5-8-16(6-2)25-21(26)19-13-23-20(12-18(19)14(3)4)24-17-10-7-9-15(22)11-17/h7,9-14,16H,5-6,8H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyYQQSJFZTDAXLHH-UHFFFAOYSA-N
XLogP5.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.93
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570167
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine
CID 11361729
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
tetrakis(N-(3-chlorophenyl)-5-[(cyclopropylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine);formic acid
CID 11982256
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide (CID 142877822) is 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide is CCCC(CC)NC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C.
What is the InChIKey of 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YQQSJFZTDAXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c1-5-8-16(6-2)25-21(26)19-13-23-20(12-18(19)14(3)4)24-17-10-7-9-15(22)11-17/h7,9-14,16H,5-6,8H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 373.93 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 142877822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).