pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H19N5O — CID 110214397

IUPACpyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC(c2ccnc(-c3cccnc3)n2)C1
InChIInChI=1S/C20H19N5O/c26-20(16-5-2-9-22-13-16)25-11-3-6-17(14-25)18-7-10-23-19(24-18)15-4-1-8-21-12-15/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2
InChIKeyAFFDCOYVYZAUAG-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.95
Rot. Bonds3

About pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110214397) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110214397
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Namepyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC(c2ccnc(-c3cccnc3)n2)C1
InChIInChI=1S/C20H19N5O/c26-20(16-5-2-9-22-13-16)25-11-3-6-17(14-25)18-7-10-23-19(24-18)15-4-1-8-21-12-15/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2
InChIKeyAFFDCOYVYZAUAG-UHFFFAOYSA-N
XLogP2.95
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
2-(4-chlorophenyl)-1-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110214401
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(2,6-difluorophenyl)-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093749
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 110214397) is pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCCC(c2ccnc(-c3cccnc3)n2)C1.
What is the InChIKey of pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is AFFDCOYVYZAUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(16-5-2-9-22-13-16)25-11-3-6-17(14-25)18-7-10-23-19(24-18)15-4-1-8-21-12-15/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2.
What are the key properties of pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110214397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).