4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile

C15H17N5O — CID 10062372

IUPAC4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2cc(-n3ccnc3)cc(=O)n2N)CC1
InChIInChI=1S/C15H17N5O/c16-9-11-1-3-12(4-2-11)14-7-13(8-15(21)20(14)17)19-6-5-18-10-19/h5-8,10-12H,1-4,17H2
InChIKeyPTWOBOCHNWVGNC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.55
Rot. Bonds2

About 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile

4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile (PubChem CID 10062372) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile
PubChem CID10062372
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2cc(-n3ccnc3)cc(=O)n2N)CC1
InChIInChI=1S/C15H17N5O/c16-9-11-1-3-12(4-2-11)14-7-13(8-15(21)20(14)17)19-6-5-18-10-19/h5-8,10-12H,1-4,17H2
InChIKeyPTWOBOCHNWVGNC-UHFFFAOYSA-N
XLogP1.55
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-6-cyclohexyl-4-pyrazol-1-ylpyridin-2-one
CID 10106574
1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one
CID 142677413
1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
CID 142677377
1-amino-6-(3-ethoxyphenyl)-4-imidazol-1-ylpyridin-2-one
CID 142677379
1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
CID 142677395
1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
CID 146106492
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
1-(3,5-dibromo-4-methylphenyl)imidazole
CID 67554928
3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978665
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 56840682
2-ethynyl-4-imidazol-1-ylpyridine
CID 130116081
4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine
CID 167086129

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile (CID 10062372) is 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile is N#CC1CCC(c2cc(-n3ccnc3)cc(=O)n2N)CC1.
What is the InChIKey of 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile?
The InChIKey is PTWOBOCHNWVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-9-11-1-3-12(4-2-11)14-7-13(8-15(21)20(14)17)19-6-5-18-10-19/h5-8,10-12H,1-4,17H2.
What are the key properties of 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile?
4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 10062372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).