2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide

C19H16BrN3O — CID 23632780

IUPAC2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccnc1NCc1ccccc1
InChIInChI=1S/C19H16BrN3O/c20-16-10-4-5-11-17(16)23-19(24)15-9-6-12-21-18(15)22-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,22)(H,23,24)
InChIKeyPMKHVFOBQDGGNC-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.71
Rot. Bonds5

About 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide

2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide (PubChem CID 23632780) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
PubChem CID23632780
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccnc1NCc1ccccc1
InChIInChI=1S/C19H16BrN3O/c20-16-10-4-5-11-17(16)23-19(24)15-9-6-12-21-18(15)22-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,22)(H,23,24)
InChIKeyPMKHVFOBQDGGNC-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
CID 23632786
N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249311
N-benzyl-3-bromopyridin-2-amine
CID 11708714
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
CID 19628130

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide (CID 23632780) is 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Br)c1cccnc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide?
The InChIKey is PMKHVFOBQDGGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-16-10-4-5-11-17(16)23-19(24)15-9-6-12-21-18(15)22-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,22)(H,23,24).
What are the key properties of 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide?
2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).