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

C15H19ClN4O — CID 103005653

IUPAC2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCc2ccnn2C)cc(Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-3-4-12-9-11(10-14(16)19-12)15(21)17-7-5-13-6-8-18-20(13)2/h6,8-10H,3-5,7H2,1-2H3,(H,17,21)
InChIKeyJRRDEOHNFNYPIS-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.39
Rot. Bonds6

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

2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide (PubChem CID 103005653) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
PubChem CID103005653
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCc2ccnn2C)cc(Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-3-4-12-9-11(10-14(16)19-12)15(21)17-7-5-13-6-8-18-20(13)2/h6,8-10H,3-5,7H2,1-2H3,(H,17,21)
InChIKeyJRRDEOHNFNYPIS-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.39
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

2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 103010377
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide (CID 103005653) is 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCCc2ccnn2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide?
The InChIKey is JRRDEOHNFNYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-4-12-9-11(10-14(16)19-12)15(21)17-7-5-13-6-8-18-20(13)2/h6,8-10H,3-5,7H2,1-2H3,(H,17,21).
What are the key properties of 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide?
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 103005653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).