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

C19H23N7O — CID 172901289

IUPAC2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H23N7O/c20-14-15-2-1-6-21-18(15)25-8-4-16(5-9-25)23-17-3-7-22-19(24-17)26-10-12-27-13-11-26/h1-3,6-7,16H,4-5,8-13H2,(H,22,23,24)
InChIKeyNDMNKMROOFEHGT-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.66
Rot. Bonds4

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

2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 172901289) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID172901289
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H23N7O/c20-14-15-2-1-6-21-18(15)25-8-4-16(5-9-25)23-17-3-7-22-19(24-17)26-10-12-27-13-11-26/h1-3,6-7,16H,4-5,8-13H2,(H,22,23,24)
InChIKeyNDMNKMROOFEHGT-UHFFFAOYSA-N
XLogP1.66
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 172902500
2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172903079
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900091
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 172901289) is 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NDMNKMROOFEHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-14-15-2-1-6-21-18(15)25-8-4-16(5-9-25)23-17-3-7-22-19(24-17)26-10-12-27-13-11-26/h1-3,6-7,16H,4-5,8-13H2,(H,22,23,24).
What are the key properties of 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 172901289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).