N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide

C19H16BrN3O — CID 109242129

IUPACN-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C19H16BrN3O/c1-13-2-6-16(7-3-13)22-18-10-14(11-21-12-18)19(24)23-17-8-4-15(20)5-9-17/h2-12,22H,1H3,(H,23,24)
InChIKeyGQJFSHJETBOVCP-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

About N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide

N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109242129) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109242129
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C19H16BrN3O/c1-13-2-6-16(7-3-13)22-18-10-14(11-21-12-18)19(24)23-17-8-4-15(20)5-9-17/h2-12,22H,1H3,(H,23,24)
InChIKeyGQJFSHJETBOVCP-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 ≤ 500382.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242174
5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242069
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide (CID 109242129) is N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)Nc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is GQJFSHJETBOVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-2-6-16(7-3-13)22-18-10-14(11-21-12-18)19(24)23-17-8-4-15(20)5-9-17/h2-12,22H,1H3,(H,23,24).
What are the key properties of N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 382.26 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-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).