2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

C16H17N5O — CID 135434889

IUPAC2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccnc2)nc(NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H17N5O/c17-9-13-14(11-5-4-8-18-10-11)20-16(21-15(13)22)19-12-6-2-1-3-7-12/h4-5,8,10,12H,1-3,6-7H2,(H2,19,20,21,22)
InChIKeyYIBDEXJFPXSILC-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 135434889) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
PubChem CID135434889
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccnc2)nc(NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H17N5O/c17-9-13-14(11-5-4-8-18-10-11)20-16(21-15(13)22)19-12-6-2-1-3-7-12/h4-5,8,10,12H,1-3,6-7H2,(H2,19,20,21,22)
InChIKeyYIBDEXJFPXSILC-UHFFFAOYSA-N
XLogP2.45
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile (CID 135434889) is 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2cccnc2)nc(NC2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is YIBDEXJFPXSILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-9-13-14(11-5-4-8-18-10-11)20-16(21-15(13)22)19-12-6-2-1-3-7-12/h4-5,8,10,12H,1-3,6-7H2,(H2,19,20,21,22).
What are the key properties of 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135434889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).