2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide

C13H10BrN3O2 — CID 103751776

IUPAC2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C13H10BrN3O2/c14-11-10(2-1-7-16-11)13(19)17-9-5-3-8(4-6-9)12(15)18/h1-7H,(H2,15,18)(H,17,19)
InChIKeyICZGZPDYIQDZSI-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.20
Rot. Bonds3

About 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide

2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide (PubChem CID 103751776) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
PubChem CID103751776
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C13H10BrN3O2/c14-11-10(2-1-7-16-11)13(19)17-9-5-3-8(4-6-9)12(15)18/h1-7H,(H2,15,18)(H,17,19)
InChIKeyICZGZPDYIQDZSI-UHFFFAOYSA-N
XLogP2.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.20
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-3-carboxamide
CID 103752138
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 78791778
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide (CID 103751776) is 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide?
The InChIKey is ICZGZPDYIQDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-11-10(2-1-7-16-11)13(19)17-9-5-3-8(4-6-9)12(15)18/h1-7H,(H2,15,18)(H,17,19).
What are the key properties of 2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide?
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 2.20, 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-carbamoylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103751776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).