N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C17H22N4O — CID 39884752

IUPACN-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cn2)n1
InChIInChI=1S/C17H22N4O/c1-12-10-13(2)21(20-12)16-9-8-14(11-18-16)17(22)19-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,22)
InChIKeyIHZQJCAFXNBYEL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds3

About N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 39884752) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID39884752
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cn2)n1
InChIInChI=1S/C17H22N4O/c1-12-10-13(2)21(20-12)16-9-8-14(11-18-16)17(22)19-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,22)
InChIKeyIHZQJCAFXNBYEL-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 39884752) is N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cn2)n1.
What is the InChIKey of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is IHZQJCAFXNBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-10-13(2)21(20-12)16-9-8-14(11-18-16)17(22)19-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,22).
What are the key properties of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 39884752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).