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

C19H24ClN3O — CID 44570165

IUPAC6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
InChIInChI=1S/C19H24ClN3O/c1-12(2)10-22-19(24)17-11-21-18(9-16(17)13(3)4)23-15-7-5-6-14(20)8-15/h5-9,11-13H,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDQIGGVOKTRDGBB-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.99
Rot. Bonds6

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

6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 44570165) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID44570165
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
InChIInChI=1S/C19H24ClN3O/c1-12(2)10-22-19(24)17-11-21-18(9-16(17)13(3)4)23-15-7-5-6-14(20)8-15/h5-9,11-13H,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDQIGGVOKTRDGBB-UHFFFAOYSA-N
XLogP4.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.99
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-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
CID 142877822
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731692
6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69356121
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
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
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide (CID 44570165) is 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C.
What is the InChIKey of 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is DQIGGVOKTRDGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-12(2)10-22-19(24)17-11-21-18(9-16(17)13(3)4)23-15-7-5-6-14(20)8-15/h5-9,11-13H,10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 4.99, 6 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-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44570165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).