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

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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).