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

C17H18N4O4 — CID 137010231

IUPAC1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C17H18N4O4/c1-10-12(9-14(22)21-8-2-3-13(21)17(24)25)16(23)20-15(19-10)11-4-6-18-7-5-11/h4-7,13H,2-3,8-9H2,1H3,(H,24,25)(H,19,20,23)
InChIKeyWYNJAMXNXZJGKP-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.76
Rot. Bonds4

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

1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 137010231) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID137010231
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C17H18N4O4/c1-10-12(9-14(22)21-8-2-3-13(21)17(24)25)16(23)20-15(19-10)11-4-6-18-7-5-11/h4-7,13H,2-3,8-9H2,1H3,(H,24,25)(H,19,20,23)
InChIKeyWYNJAMXNXZJGKP-UHFFFAOYSA-N
XLogP0.76
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136532660
5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137091980
(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137558
4-methyl-5-[2-oxo-2-(4-thiophen-3-ylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136533215
4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137047138
N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 136712335
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137079245
(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
CID 137147714
N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 135983224
4-methyl-5-[3-[2-(2-methylpropyl)azepan-1-yl]-3-oxopropyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136527439
2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 137159316
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 137010231) is 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WYNJAMXNXZJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10-12(9-14(22)21-8-2-3-13(21)17(24)25)16(23)20-15(19-10)11-4-6-18-7-5-11/h4-7,13H,2-3,8-9H2,1H3,(H,24,25)(H,19,20,23).
What are the key properties of 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137010231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).