6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide

C19H16BrN3O — CID 109162360

IUPAC6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccc(Br)cc2)nc1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c1-23(17-5-3-2-4-6-17)19(24)14-7-12-18(21-13-14)22-16-10-8-15(20)9-11-16/h2-13H,1H3,(H,21,22)
InChIKeyGBPGZTMIRKMGJJ-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.86
Rot. Bonds4

About 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide

6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 109162360) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID109162360
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccc(Br)cc2)nc1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c1-23(17-5-3-2-4-6-17)19(24)14-7-12-18(21-13-14)22-16-10-8-15(20)9-11-16/h2-13H,1H3,(H,21,22)
InChIKeyGBPGZTMIRKMGJJ-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162369
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290262
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide (CID 109162360) is 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide is CN(C(=O)c1ccc(Nc2ccc(Br)cc2)nc1)c1ccccc1.
What is the InChIKey of 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is GBPGZTMIRKMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-23(17-5-3-2-4-6-17)19(24)14-7-12-18(21-13-14)22-16-10-8-15(20)9-11-16/h2-13H,1H3,(H,21,22).
What are the key properties of 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109162360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).