6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide

C12H13ClN4O — CID 104627180

IUPAC6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2cccc(Cl)n2)n1
InChIInChI=1S/C12H13ClN4O/c1-17-8-6-9(16-17)5-7-14-12(18)10-3-2-4-11(13)15-10/h2-4,6,8H,5,7H2,1H3,(H,14,18)
InChIKeyXLRNRTSCSQMVOA-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.44
Rot. Bonds4

About 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide

6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 104627180) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID104627180
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2cccc(Cl)n2)n1
InChIInChI=1S/C12H13ClN4O/c1-17-8-6-9(16-17)5-7-14-12(18)10-3-2-4-11(13)15-10/h2-4,6,8H,5,7H2,1H3,(H,14,18)
InChIKeyXLRNRTSCSQMVOA-UHFFFAOYSA-N
XLogP1.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]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

6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106106169
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide (CID 104627180) is 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide is Cn1ccc(CCNC(=O)c2cccc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is XLRNRTSCSQMVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-8-6-9(16-17)5-7-14-12(18)10-3-2-4-11(13)15-10/h2-4,6,8H,5,7H2,1H3,(H,14,18).
What are the key properties of 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104627180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).