5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide

C14H13N5O2 — CID 110684594

IUPAC5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ncccn1)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C14H13N5O2/c20-12-7-10(9-19(12)11-3-1-4-15-8-11)13(21)18-14-16-5-2-6-17-14/h1-6,8,10H,7,9H2,(H,16,17,18,21)
InChIKeyGAKCBOVPCUCBDY-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.86
Rot. Bonds3

About 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide

5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110684594) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID110684594
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ncccn1)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C14H13N5O2/c20-12-7-10(9-19(12)11-3-1-4-15-8-11)13(21)18-14-16-5-2-6-17-14/h1-6,8,10H,7,9H2,(H,16,17,18,21)
InChIKeyGAKCBOVPCUCBDY-UHFFFAOYSA-N
XLogP0.86
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 110684610
1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 17120007
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate
CID 110684590
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
N-(1H-indazol-6-yl)-5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684595
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118634
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 110684594) is 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide is O=C(Nc1ncccn1)C1CC(=O)N(c2cccnc2)C1.
What is the InChIKey of 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GAKCBOVPCUCBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-12-7-10(9-19(12)11-3-1-4-15-8-11)13(21)18-14-16-5-2-6-17-14/h1-6,8,10H,7,9H2,(H,16,17,18,21).
What are the key properties of 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110684594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).