[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C20H19N5O — CID 97193301

IUPAC[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H19N5O/c26-20(17-13-23-19(24-14-17)16-6-4-9-22-12-16)25-10-2-1-7-18(25)15-5-3-8-21-11-15/h3-6,8-9,11-14,18H,1-2,7,10H2/t18-/m0/s1
InChIKeyDCMFCEXUDKEYIM-SFHVURJKSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds3

About [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 97193301) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID97193301
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H19N5O/c26-20(17-13-23-19(24-14-17)16-6-4-9-22-12-16)25-10-2-1-7-18(25)15-5-3-8-21-11-15/h3-6,8-9,11-14,18H,1-2,7,10H2/t18-/m0/s1
InChIKeyDCMFCEXUDKEYIM-SFHVURJKSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
CID 126442115
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 97193301) is [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is DCMFCEXUDKEYIM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(17-13-23-19(24-14-17)16-6-4-9-22-12-16)25-10-2-1-7-18(25)15-5-3-8-21-11-15/h3-6,8-9,11-14,18H,1-2,7,10H2/t18-/m0/s1.
What are the key properties of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 345.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 97193301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).