2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide

C11H15N3O2 — CID 80564171

IUPAC2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCNC1)c1ccc[nH]c1=O
InChIInChI=1S/C11H15N3O2/c15-10-9(2-1-4-13-10)11(16)14-7-8-3-5-12-6-8/h1-2,4,8,12H,3,5-7H2,(H,13,15)(H,14,16)
InChIKeyVBPLQCZCEWXEAY-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.29
Rot. Bonds3

About 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 80564171) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID80564171
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCNC1)c1ccc[nH]c1=O
InChIInChI=1S/C11H15N3O2/c15-10-9(2-1-4-13-10)11(16)14-7-8-3-5-12-6-8/h1-2,4,8,12H,3,5-7H2,(H,13,15)(H,14,16)
InChIKeyVBPLQCZCEWXEAY-UHFFFAOYSA-N
XLogP-0.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 136527096
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 80564171) is 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCC1CCNC1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is VBPLQCZCEWXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-9(2-1-4-13-10)11(16)14-7-8-3-5-12-6-8/h1-2,4,8,12H,3,5-7H2,(H,13,15)(H,14,16).
What are the key properties of 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 80564171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).