2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide

C14H10BrN5O — CID 103754177

IUPAC2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1ccnc(Br)c1
InChIInChI=1S/C14H10BrN5O/c15-12-8-10(4-6-16-12)14(21)19-11-2-3-13(17-9-11)20-7-1-5-18-20/h1-9H,(H,19,21)
InChIKeyCNBXCFUTSUQZKM-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.68
Rot. Bonds3

About 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide

2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 103754177) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID103754177
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1ccnc(Br)c1
InChIInChI=1S/C14H10BrN5O/c15-12-8-10(4-6-16-12)14(21)19-11-2-3-13(17-9-11)20-7-1-5-18-20/h1-9H,(H,19,21)
InChIKeyCNBXCFUTSUQZKM-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 78948608
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
6-fluoro-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 115497231
3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 75523152
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 30822082
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide (CID 103754177) is 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is CNBXCFUTSUQZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-12-8-10(4-6-16-12)14(21)19-11-2-3-13(17-9-11)20-7-1-5-18-20/h1-9H,(H,19,21).
What are the key properties of 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide?
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 103754177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).