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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Related Compounds

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 59457539
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-hydroxycyclopentyl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 58993714
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 172628527
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 172628599
5-cyano-N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 11714169
N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-cyano-1H-imidazole-2-carboxamide
CID 172628611
methyl 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxane-4-carboxylate
CID 24874643
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2S)-4-hydroxy-4-methyl-1-sulfanylpentan-2-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide;propan-1-ol
CID 144717150
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(5R)-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 144570247
5-cyano-N-[4-[(1S,3R,6S)-1,3-dihydroxy-3,6-bis(hydroxymethyl)-6-iodocycloheptyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
CID 166734385
ethyl 2-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-2-hydroxyacetate
CID 58994583
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[3-hydroxy-1,5-bis(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 68966823

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).