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

C14H12BrN3O2 — CID 103753891

IUPAC2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3O2/c1-16-13(19)9-2-4-11(5-3-9)18-14(20)10-6-7-17-12(15)8-10/h2-8H,1H3,(H,16,19)(H,18,20)
InChIKeyFLJDYMKRDICSOJ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.46
Rot. Bonds3

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

2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 103753891) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID103753891
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3O2/c1-16-13(19)9-2-4-11(5-3-9)18-14(20)10-6-7-17-12(15)8-10/h2-8H,1H3,(H,16,19)(H,18,20)
InChIKeyFLJDYMKRDICSOJ-UHFFFAOYSA-N
XLogP2.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 103753891) is 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is FLJDYMKRDICSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-16-13(19)9-2-4-11(5-3-9)18-14(20)10-6-7-17-12(15)8-10/h2-8H,1H3,(H,16,19)(H,18,20).
What are the key properties of 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103753891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).