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

C20H25N7O — CID 171994800

IUPAC2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C20H25N7O/c1-25(20-23-8-6-18(24-20)26-10-12-28-13-11-26)17-5-3-9-27(15-17)19-16(14-21)4-2-7-22-19/h2,4,6-8,17H,3,5,9-13,15H2,1H3
InChIKeyKGPKJYYOROBHKU-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.69
Rot. Bonds4

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

2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 171994800) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID171994800
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C20H25N7O/c1-25(20-23-8-6-18(24-20)26-10-12-28-13-11-26)17-5-3-9-27(15-17)19-16(14-21)4-2-7-22-19/h2,4,6-8,17H,3,5,9-13,15H2,1H3
InChIKeyKGPKJYYOROBHKU-UHFFFAOYSA-N
XLogP1.69
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171997979
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171993904
2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95882703
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
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129476892

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 171994800) is 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is CN(c1nccc(N2CCOCC2)n1)C1CCCN(c2ncccc2C#N)C1.
What is the InChIKey of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KGPKJYYOROBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25(20-23-8-6-18(24-20)26-10-12-28-13-11-26)17-5-3-9-27(15-17)19-16(14-21)4-2-7-22-19/h2,4,6-8,17H,3,5,9-13,15H2,1H3.
What are the key properties of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).