5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide

C19H22BrN3O — CID 109226784

IUPAC5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
SMILESCc1cc(Br)ccc1Nc1cncc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H22BrN3O/c1-13-9-15(20)7-8-18(13)22-17-10-14(11-21-12-17)19(24)23-16-5-3-2-4-6-16/h7-12,16,22H,2-6H2,1H3,(H,23,24)
InChIKeyVACCNLDBQKDRAE-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.96
Rot. Bonds4

About 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide

5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide (PubChem CID 109226784) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
PubChem CID109226784
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
SMILESCc1cc(Br)ccc1Nc1cncc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H22BrN3O/c1-13-9-15(20)7-8-18(13)22-17-10-14(11-21-12-17)19(24)23-16-5-3-2-4-6-16/h7-12,16,22H,2-6H2,1H3,(H,23,24)
InChIKeyVACCNLDBQKDRAE-UHFFFAOYSA-N
XLogP4.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
N-cyclopentyl-5-(2,5-dichloroanilino)pyridine-3-carboxamide
CID 109226051
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226755
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide?
The IUPAC name of 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide (CID 109226784) is 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide is Cc1cc(Br)ccc1Nc1cncc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide?
The InChIKey is VACCNLDBQKDRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-13-9-15(20)7-8-18(13)22-17-10-14(11-21-12-17)19(24)23-16-5-3-2-4-6-16/h7-12,16,22H,2-6H2,1H3,(H,23,24).
What are the key properties of 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide?
5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 109226784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).