2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide

C13H11BrN4O2 — CID 103752137

IUPAC2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C13H11BrN4O2/c14-11-7-8(5-6-16-11)12(19)17-9-1-3-10(4-2-9)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20)
InChIKeyWPNUZKKDWJRWBM-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.59
Rot. Bonds3

About 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide

2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide (PubChem CID 103752137) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
PubChem CID103752137
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C13H11BrN4O2/c14-11-7-8(5-6-16-11)12(19)17-9-1-3-10(4-2-9)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20)
InChIKeyWPNUZKKDWJRWBM-UHFFFAOYSA-N
XLogP2.59
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
CID 103754415
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide (CID 103752137) is 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide is NC(=O)Nc1ccc(NC(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is WPNUZKKDWJRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c14-11-7-8(5-6-16-11)12(19)17-9-1-3-10(4-2-9)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20).
What are the key properties of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide?
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).