N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide

C19H16BrN3O — CID 109176388

IUPACN-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C19H16BrN3O/c1-23(17-5-3-2-4-6-17)18-13-14(11-12-21-18)19(24)22-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,22,24)
InChIKeyMXLSGGKFRVOXLL-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.86
Rot. Bonds4

About N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide

N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide (PubChem CID 109176388) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
PubChem CID109176388
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C19H16BrN3O/c1-23(17-5-3-2-4-6-17)18-13-14(11-12-21-18)19(24)22-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,22,24)
InChIKeyMXLSGGKFRVOXLL-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

N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176395
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide
CID 109176977
N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
4-N-(4-methoxyphenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091500
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
N-(4-bromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247582
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide (CID 109176388) is N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide is CN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1.
What is the InChIKey of N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide?
The InChIKey is MXLSGGKFRVOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-23(17-5-3-2-4-6-17)18-13-14(11-12-21-18)19(24)22-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide?
N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-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 N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).