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

C16H18N6O — CID 136560083

IUPAC6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1cc(=O)[nH]c(N2CCCC(Nc3ccc(C#N)cn3)C2)n1
InChIInChI=1S/C16H18N6O/c1-11-7-15(23)21-16(19-11)22-6-2-3-13(10-22)20-14-5-4-12(8-17)9-18-14/h4-5,7,9,13H,2-3,6,10H2,1H3,(H,18,20)(H,19,21,23)
InChIKeyKVVJZFJHUOSVRQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.43
Rot. Bonds3

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

6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 136560083) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID136560083
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1cc(=O)[nH]c(N2CCCC(Nc3ccc(C#N)cn3)C2)n1
InChIInChI=1S/C16H18N6O/c1-11-7-15(23)21-16(19-11)22-6-2-3-13(10-22)20-14-5-4-12(8-17)9-18-14/h4-5,7,9,13H,2-3,6,10H2,1H3,(H,18,20)(H,19,21,23)
InChIKeyKVVJZFJHUOSVRQ-UHFFFAOYSA-N
XLogP1.43
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 136560083) is 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile is Cc1cc(=O)[nH]c(N2CCCC(Nc3ccc(C#N)cn3)C2)n1.
What is the InChIKey of 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is KVVJZFJHUOSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-7-15(23)21-16(19-11)22-6-2-3-13(10-22)20-14-5-4-12(8-17)9-18-14/h4-5,7,9,13H,2-3,6,10H2,1H3,(H,18,20)(H,19,21,23).
What are the key properties of 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 136560083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).