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

C21H25BrClN3O — CID 58731760

IUPAC6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2ccc(Cl)cc2Br)ncc1C(=O)NCC1CCCC1
InChIInChI=1S/C21H25BrClN3O/c1-13(2)16-10-20(26-19-8-7-15(23)9-18(19)22)24-12-17(16)21(27)25-11-14-5-3-4-6-14/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGMHBVUFTVVAULT-UHFFFAOYSA-N
MW450.81 g/mol
LogP6.28
Rot. Bonds6

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

6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 58731760) has the molecular formula C21H25BrClN3O and a molecular weight of 450.81 g/mol. Its IUPAC name is 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID58731760
Molecular FormulaC21H25BrClN3O
Molecular Weight450.81 g/mol
Exact Mass449.09
IUPAC Name6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2ccc(Cl)cc2Br)ncc1C(=O)NCC1CCCC1
InChIInChI=1S/C21H25BrClN3O/c1-13(2)16-10-20(26-19-8-7-15(23)9-18(19)22)24-12-17(16)21(27)25-11-14-5-3-4-6-14/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGMHBVUFTVVAULT-UHFFFAOYSA-N
XLogP6.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.81
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-bromo-4-(trifluoromethoxy)anilino]-N-(cyclobutylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731844
6-(4-cyano-2-fluoroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731665
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
6-(2-chloro-5-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731732
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343
N-(cyclopentylmethyl)-6-(2,4-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570611
6-(4-chloro-2-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11187954
6-(4-fluoro-3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731720
6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 69369776
N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine
CID 11355359
6-(5-chloro-2-hydroxyanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355695
6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731811

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 58731760) is 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2ccc(Cl)cc2Br)ncc1C(=O)NCC1CCCC1.
What is the InChIKey of 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GMHBVUFTVVAULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrClN3O/c1-13(2)16-10-20(26-19-8-7-15(23)9-18(19)22)24-12-17(16)21(27)25-11-14-5-3-4-6-14/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 450.81 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 58731760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).