2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide

C13H11BrN4O2 — CID 103752138

IUPAC2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C13H11BrN4O2/c14-11-10(2-1-7-16-11)12(19)17-8-3-5-9(6-4-8)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20)
InChIKeyRJFMSEPTPKACFP-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.59
Rot. Bonds3

About 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide

2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 103752138) 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-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
PubChem CID103752138
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C13H11BrN4O2/c14-11-10(2-1-7-16-11)12(19)17-8-3-5-9(6-4-8)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20)
InChIKeyRJFMSEPTPKACFP-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

2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
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-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide (CID 103752138) is 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide is NC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is RJFMSEPTPKACFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c14-11-10(2-1-7-16-11)12(19)17-8-3-5-9(6-4-8)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-3-carboxamide?
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 103752138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).