(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid

C18H20N4O4 — CID 137147714

IUPAC(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C18H20N4O4/c1-11-14(8-15(23)22-7-3-5-13(10-22)18(25)26)17(24)21-16(20-11)12-4-2-6-19-9-12/h2,4,6,9,13H,3,5,7-8,10H2,1H3,(H,25,26)(H,20,21,24)/t13-/m0/s1
InChIKeySEWGEXFTJUAOGI-ZDUSSCGKSA-N
MW356.38 g/mol
LogP1.01
Rot. Bonds4

About (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 137147714) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID137147714
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C18H20N4O4/c1-11-14(8-15(23)22-7-3-5-13(10-22)18(25)26)17(24)21-16(20-11)12-4-2-6-19-9-12/h2,4,6,9,13H,3,5,7-8,10H2,1H3,(H,25,26)(H,20,21,24)/t13-/m0/s1
InChIKeySEWGEXFTJUAOGI-ZDUSSCGKSA-N
XLogP1.01
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 137064323
5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137091921
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353
N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137030010
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 137010231
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137079245
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid (CID 137147714) is (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is SEWGEXFTJUAOGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-14(8-15(23)22-7-3-5-13(10-22)18(25)26)17(24)21-16(20-11)12-4-2-6-19-9-12/h2,4,6,9,13H,3,5,7-8,10H2,1H3,(H,25,26)(H,20,21,24)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 137147714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).