N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide

C11H13N3O2 — CID 110732294

IUPACN-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C1CCC(CNC(=O)c2cccnc2)N1
InChIInChI=1S/C11H13N3O2/c15-10-4-3-9(14-10)7-13-11(16)8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15)
InChIKeyQWNXIRUHPMILNR-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.09
Rot. Bonds3

About N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide

N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 110732294) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID110732294
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C1CCC(CNC(=O)c2cccnc2)N1
InChIInChI=1S/C11H13N3O2/c15-10-4-3-9(14-10)7-13-11(16)8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15)
InChIKeyQWNXIRUHPMILNR-UHFFFAOYSA-N
XLogP0.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128990675
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide (CID 110732294) is N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide is O=C1CCC(CNC(=O)c2cccnc2)N1.
What is the InChIKey of N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QWNXIRUHPMILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-4-3-9(14-10)7-13-11(16)8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15).
What are the key properties of N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110732294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).