6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide

C12H13ClN4O — CID 113237981

IUPAC6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cnn(CCNC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C12H13ClN4O/c1-9-6-16-17(8-9)5-4-14-12(18)10-2-3-11(13)15-7-10/h2-3,6-8H,4-5H2,1H3,(H,14,18)
InChIKeyZYZMIAGBPPBPHT-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.67
Rot. Bonds4

About 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 113237981) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID113237981
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cnn(CCNC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C12H13ClN4O/c1-9-6-16-17(8-9)5-4-14-12(18)10-2-3-11(13)15-7-10/h2-3,6-8H,4-5H2,1H3,(H,14,18)
InChIKeyZYZMIAGBPPBPHT-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-sulfanylbenzamide
CID 114130493
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide (CID 113237981) is 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide is Cc1cnn(CCNC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ZYZMIAGBPPBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-9-6-16-17(8-9)5-4-14-12(18)10-2-3-11(13)15-7-10/h2-3,6-8H,4-5H2,1H3,(H,14,18).
What are the key properties of 6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.67, 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-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113237981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).