5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

C18H19N5O — CID 24759398

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2ncccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C18H19N5O/c1-18(2)7-5-12(6-8-18)15-14(4-3-9-20-15)23-17(24)16-21-11-13(10-19)22-16/h3-5,9,11H,6-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyXWHDCZPPARKYRD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.52
Rot. Bonds3

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 24759398) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID24759398
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2ncccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C18H19N5O/c1-18(2)7-5-12(6-8-18)15-14(4-3-9-20-15)23-17(24)16-21-11-13(10-19)22-16/h3-5,9,11H,6-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyXWHDCZPPARKYRD-UHFFFAOYSA-N
XLogP3.52
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 24759398) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2ncccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is XWHDCZPPARKYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-18(2)7-5-12(6-8-18)15-14(4-3-9-20-15)23-17(24)16-21-11-13(10-19)22-16/h3-5,9,11H,6-8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).