2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile

C16H17N5O — CID 136588824

IUPAC2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C16H17N5O/c17-10-12-2-1-8-18-16(12)20-13-5-3-11(4-6-13)15-19-9-7-14(22)21-15/h1-2,7-9,11,13H,3-6H2,(H,18,20)(H,19,21,22)
InChIKeyICCLKOUZAPZJMF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.17
Rot. Bonds3

About 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile

2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile (PubChem CID 136588824) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile
PubChem CID136588824
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C16H17N5O/c17-10-12-2-1-8-18-16(12)20-13-5-3-11(4-6-13)15-19-9-7-14(22)21-15/h1-2,7-9,11,13H,3-6H2,(H,18,20)(H,19,21,22)
InChIKeyICCLKOUZAPZJMF-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile (CID 136588824) is 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC1CCC(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
The InChIKey is ICCLKOUZAPZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-10-12-2-1-8-18-16(12)20-13-5-3-11(4-6-13)15-19-9-7-14(22)21-15/h1-2,7-9,11,13H,3-6H2,(H,18,20)(H,19,21,22).
What are the key properties of 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 136588824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).