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

C21H28ClN3O — CID 44570167

IUPAC6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
InChIInChI=1S/C21H28ClN3O/c1-5-15(6-2)12-24-21(26)19-13-23-20(11-18(19)14(3)4)25-17-9-7-8-16(22)10-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBHKIDPZYPBIDBY-UHFFFAOYSA-N
MW373.93 g/mol
LogP5.77
Rot. Bonds8

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

6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 44570167) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID44570167
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
InChIInChI=1S/C21H28ClN3O/c1-5-15(6-2)12-24-21(26)19-13-23-20(11-18(19)14(3)4)25-17-9-7-8-16(22)10-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBHKIDPZYPBIDBY-UHFFFAOYSA-N
XLogP5.77
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 ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
CID 142877822
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
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10385607
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
tetrakis(N-(3-chlorophenyl)-5-[(cyclopropylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine);formic acid
CID 11982256
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731692
1-chloro-N-(2-ethylbutyl)isoquinoline-4-carboxamide
CID 106766412

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide (CID 44570167) is 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide is CCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C.
What is the InChIKey of 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BHKIDPZYPBIDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c1-5-15(6-2)12-24-21(26)19-13-23-20(11-18(19)14(3)4)25-17-9-7-8-16(22)10-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 373.93 g/mol, XLogP of 5.77, 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-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44570167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).