3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C19H23ClN4O — CID 55370036

IUPAC3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)n2)n1
InChIInChI=1S/C19H23ClN4O/c1-13-12-14(2)24(23-13)17-9-8-16(20)18(22-17)19(25)21-11-10-15-6-4-3-5-7-15/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,21,25)
InChIKeyUHGHHBFZEQQYJS-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.16
Rot. Bonds5

About 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 55370036) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID55370036
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)n2)n1
InChIInChI=1S/C19H23ClN4O/c1-13-12-14(2)24(23-13)17-9-8-16(20)18(22-17)19(25)21-11-10-15-6-4-3-5-7-15/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,21,25)
InChIKeyUHGHHBFZEQQYJS-UHFFFAOYSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78816211
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830
N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112811193
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 55551117
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 78866642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 55370036) is 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)n2)n1.
What is the InChIKey of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is UHGHHBFZEQQYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-13-12-14(2)24(23-13)17-9-8-16(20)18(22-17)19(25)21-11-10-15-6-4-3-5-7-15/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,21,25).
What are the key properties of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 55370036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).