2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C20H19N5O2 — CID 136678872

IUPAC2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CCC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1
InChIInChI=1S/C20H19N5O2/c26-18-11-17(16-7-1-2-9-22-16)23-19(24-18)15-6-4-10-25(13-15)20(27)14-5-3-8-21-12-14/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,23,24,26)/t15-/m1/s1
InChIKeyDVDJEEUEFOJZPU-OAHLLOKOSA-N
MW361.40 g/mol
LogP2.25
Rot. Bonds3

About 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136678872) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136678872
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC Name2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CCC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1
InChIInChI=1S/C20H19N5O2/c26-18-11-17(16-7-1-2-9-22-16)23-19(24-18)15-6-4-10-25(13-15)20(27)14-5-3-8-21-12-14/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,23,24,26)/t15-/m1/s1
InChIKeyDVDJEEUEFOJZPU-OAHLLOKOSA-N
XLogP2.25
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
4-ethyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707434
4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136734998
2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682319
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136678872) is 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1cccnc1)N1CCC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is DVDJEEUEFOJZPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-18-11-17(16-7-1-2-9-22-16)23-19(24-18)15-6-4-10-25(13-15)20(27)14-5-3-8-21-12-14/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,23,24,26)/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 361.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136678872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).