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

C12H13BrN4O — CID 66462563

IUPAC6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ccc(Br)nc2)cn1
InChIInChI=1S/C12H13BrN4O/c1-8(2)17-7-10(6-15-17)16-12(18)9-3-4-11(13)14-5-9/h3-8H,1-2H3,(H,16,18)
InChIKeyNQOIYAORJATWHO-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.87
Rot. Bonds3

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

6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 66462563) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID66462563
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ccc(Br)nc2)cn1
InChIInChI=1S/C12H13BrN4O/c1-8(2)17-7-10(6-15-17)16-12(18)9-3-4-11(13)14-5-9/h3-8H,1-2H3,(H,16,18)
InChIKeyNQOIYAORJATWHO-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62903269
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 62904281
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 134702922
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
4-[(1-propan-2-ylpyrazol-4-yl)amino]benzoic acid
CID 62902330
3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 138034343
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide (CID 66462563) is 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide is CC(C)n1cc(NC(=O)c2ccc(Br)nc2)cn1.
What is the InChIKey of 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is NQOIYAORJATWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8(2)17-7-10(6-15-17)16-12(18)9-3-4-11(13)14-5-9/h3-8H,1-2H3,(H,16,18).
What are the key properties of 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66462563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).