2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide

C11H14N4O2 — CID 172742275

IUPAC2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(N)=O)CC(=O)N1
InChIInChI=1S/C11H14N4O2/c1-7-5-15(6-9(16)14-7)11-8(10(12)17)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H2,12,17)(H,14,16)
InChIKeyJGKRHGQNBZFFIY-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.49
Rot. Bonds2

About 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide

2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 172742275) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide
PubChem CID172742275
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(N)=O)CC(=O)N1
InChIInChI=1S/C11H14N4O2/c1-7-5-15(6-9(16)14-7)11-8(10(12)17)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H2,12,17)(H,14,16)
InChIKeyJGKRHGQNBZFFIY-UHFFFAOYSA-N
XLogP-0.49
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-[(3S)-3-methyl-5-oxopiperazin-1-yl]pyridine-3-carboxamide
CID 155343181
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-(4-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 24705416
2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
CID 167721300
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
CID 173222605
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 102786999

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide (CID 172742275) is 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(N)=O)CC(=O)N1.
What is the InChIKey of 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is JGKRHGQNBZFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-5-15(6-9(16)14-7)11-8(10(12)17)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H2,12,17)(H,14,16).
What are the key properties of 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide?
2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 172742275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).