2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide

C12H13BrN4O — CID 104693681

IUPAC2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCn1nccc1CCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H13BrN4O/c1-17-10(4-7-16-17)3-6-15-12(18)9-2-5-14-11(13)8-9/h2,4-5,7-8H,3,6H2,1H3,(H,15,18)
InChIKeyYACJCVRRFVDXDO-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.55
Rot. Bonds4

About 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide

2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 104693681) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID104693681
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCn1nccc1CCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H13BrN4O/c1-17-10(4-7-16-17)3-6-15-12(18)9-2-5-14-11(13)8-9/h2,4-5,7-8H,3,6H2,1H3,(H,15,18)
InChIKeyYACJCVRRFVDXDO-UHFFFAOYSA-N
XLogP1.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.55
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

3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703
4-bromo-1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 103007204
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide (CID 104693681) is 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide is Cn1nccc1CCNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is YACJCVRRFVDXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-17-10(4-7-16-17)3-6-15-12(18)9-2-5-14-11(13)8-9/h2,4-5,7-8H,3,6H2,1H3,(H,15,18).
What are the key properties of 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide?
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 104693681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).