N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

C22H20N6O — CID 24759170

IUPACN-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(-c3ccc(N)nc3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H20N6O/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyWIJZTEXAANZDIG-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 24759170) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID24759170
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(-c3ccc(N)nc3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H20N6O/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyWIJZTEXAANZDIG-UHFFFAOYSA-N
XLogP4.14
TPSA120.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

Edicotinib
CID 25230468
4-Cyano-N-(2-Cyclohex-1-En-1-Yl-4-Piperidin-4-Ylphenyl)-1h-Imidazole-2-Carboxamide
CID 11696478
Jnj-28312141
CID 44551653
N-[3-(6-Cyano-9h-Pyrrolo[2,3-B:5,4-C']dipyridin-3-Yl)phenyl]acetamide
CID 68346820
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
CID 11555179
4-[4-[[(5-Cyano-1H-imidazol-2-yl)carbonyl]amino]-3-(1-cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)-1-piperidinecarboxamide
CID 11576269
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
N-[4-[1-(3-amino-3-methylbutanoyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 11642786
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11664409
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
CID 11676971
4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783102

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 24759170) is N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(-c3ccc(N)nc3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is WIJZTEXAANZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29).
What are the key properties of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).