N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide

C19H22BrN3O — CID 109166381

IUPACN-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)c(Br)c1
InChIInChI=1S/C19H22BrN3O/c1-13-7-8-17(16(20)11-13)23-19(24)14-9-10-21-18(12-14)22-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyGZKAGRQHBYWOFA-UHFFFAOYSA-N
MW388.31 g/mol
LogP5.15
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide (PubChem CID 109166381) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
PubChem CID109166381
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)c(Br)c1
InChIInChI=1S/C19H22BrN3O/c1-13-7-8-17(16(20)11-13)23-19(24)14-9-10-21-18(12-14)22-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyGZKAGRQHBYWOFA-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
ethyl 2-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175109
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
CID 109169394
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089325
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide (CID 109166381) is N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The InChIKey is GZKAGRQHBYWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-13-7-8-17(16(20)11-13)23-19(24)14-9-10-21-18(12-14)22-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109166381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).