6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide

C15H12BrN5O — CID 134450198

IUPAC6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1
InChIInChI=1S/C15H12BrN5O/c1-21-9-12(14(20-21)10-5-2-3-8-17-10)19-15(22)11-6-4-7-13(16)18-11/h2-9H,1H3,(H,19,22)
InChIKeyYFMFQTLBMUWLEA-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.89
Rot. Bonds3

About 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide

6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450198) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450198
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1
InChIInChI=1S/C15H12BrN5O/c1-21-9-12(14(20-21)10-5-2-3-8-17-10)19-15(22)11-6-4-7-13(16)18-11/h2-9H,1H3,(H,19,22)
InChIKeyYFMFQTLBMUWLEA-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 134452889
6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450248
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 166221168
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
CID 134450315
(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide
CID 46204756
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide
CID 87660300
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
CID 134450226
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 134450290
5-fluoro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
CID 167847189
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134450354

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 134450198) is 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1.
What is the InChIKey of 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YFMFQTLBMUWLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-21-9-12(14(20-21)10-5-2-3-8-17-10)19-15(22)11-6-4-7-13(16)18-11/h2-9H,1H3,(H,19,22).
What are the key properties of 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).