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

C19H17N5O2 — CID 136682307

IUPAC2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C19H17N5O2/c25-17-11-15(14-6-1-2-9-21-14)22-18(23-17)16-7-4-10-24(16)19(26)13-5-3-8-20-12-13/h1-3,5-6,8-9,11-12,16H,4,7,10H2,(H,22,23,25)/t16-/m0/s1
InChIKeyVPCPGPWKLZTZAV-INIZCTEOSA-N
MW347.38 g/mol
LogP2.20
Rot. Bonds3

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

2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136682307) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136682307
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C19H17N5O2/c25-17-11-15(14-6-1-2-9-21-14)22-18(23-17)16-7-4-10-24(16)19(26)13-5-3-8-20-12-13/h1-3,5-6,8-9,11-12,16H,4,7,10H2,(H,22,23,25)/t16-/m0/s1
InChIKeyVPCPGPWKLZTZAV-INIZCTEOSA-N
XLogP2.20
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963138
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850203
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
2-[(2R)-1-benzoylpiperidin-2-yl]-6-(pyridine-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682010
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136682307) is 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1cccnc1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is VPCPGPWKLZTZAV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17-11-15(14-6-1-2-9-21-14)22-18(23-17)16-7-4-10-24(16)19(26)13-5-3-8-20-12-13/h1-3,5-6,8-9,11-12,16H,4,7,10H2,(H,22,23,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 347.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136682307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).