2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile

C20H24N6O — CID 95882703

IUPAC2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc([C@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24N6O/c1-15-23-18(12-19(24-15)25-8-10-27-11-9-25)17-5-3-7-26(14-17)20-16(13-21)4-2-6-22-20/h2,4,6,12,17H,3,5,7-11,14H2,1H3/t17-/m0/s1
InChIKeyGBWAFLMKPLHMHT-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.27
Rot. Bonds3

About 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile

2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95882703) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95882703
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc([C@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24N6O/c1-15-23-18(12-19(24-15)25-8-10-27-11-9-25)17-5-3-7-26(14-17)20-16(13-21)4-2-6-22-20/h2,4,6,12,17H,3,5,7-11,14H2,1H3/t17-/m0/s1
InChIKeyGBWAFLMKPLHMHT-KRWDZBQOSA-N
XLogP2.27
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 95894828
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
4,6-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95888742
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
2-[(3R)-3-morpholin-4-ylsulfonylpiperidin-1-yl]pyridine-3-carbonitrile
CID 97344026
2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
CID 166225727
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
(5-methyl-1H-imidazol-4-yl)-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70758157

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 95882703) is 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1nc([C@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is GBWAFLMKPLHMHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-23-18(12-19(24-15)25-8-10-27-11-9-25)17-5-3-7-26(14-17)20-16(13-21)4-2-6-22-20/h2,4,6,12,17H,3,5,7-11,14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95882703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).