pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone

C20H19N5O — CID 110268573

IUPACpyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC(c2ccc(-c3cncnc3)cn2)C1
InChIInChI=1S/C20H19N5O/c26-20(16-3-1-7-21-9-16)25-8-2-4-17(13-25)19-6-5-15(12-24-19)18-10-22-14-23-11-18/h1,3,5-7,9-12,14,17H,2,4,8,13H2
InChIKeyPNLNKYOKGZZLOO-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.95
Rot. Bonds3

About pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone

pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 110268573) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID110268573
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Namepyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC(c2ccc(-c3cncnc3)cn2)C1
InChIInChI=1S/C20H19N5O/c26-20(16-3-1-7-21-9-16)25-8-2-4-17(13-25)19-6-5-15(12-24-19)18-10-22-14-23-11-18/h1,3,5-7,9-12,14,17H,2,4,8,13H2
InChIKeyPNLNKYOKGZZLOO-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

(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
[(3S)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95806520
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95834066

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone (CID 110268573) is pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCCC(c2ccc(-c3cncnc3)cn2)C1.
What is the InChIKey of pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is PNLNKYOKGZZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(16-3-1-7-21-9-16)25-8-2-4-17(13-25)19-6-5-15(12-24-19)18-10-22-14-23-11-18/h1,3,5-7,9-12,14,17H,2,4,8,13H2.
What are the key properties of pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)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-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110268573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).