1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C12H15N3O2 — CID 110687259

IUPAC1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1ccccn1
InChIInChI=1S/C12H15N3O2/c1-15-10(5-6-11(15)16)12(17)14-8-9-4-2-3-7-13-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,17)
InChIKeySMEMBLHVOQKYHU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.32
Rot. Bonds3

About 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 110687259) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID110687259
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1ccccn1
InChIInChI=1S/C12H15N3O2/c1-15-10(5-6-11(15)16)12(17)14-8-9-4-2-3-7-13-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,17)
InChIKeySMEMBLHVOQKYHU-UHFFFAOYSA-N
XLogP0.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110387791
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
5-oxo-N-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730999
(4aR,8aR)-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)-4,5,6,7,8,8a-hexahydro-3H-quinoline-4a-carboxamide
CID 91925274
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086760
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 110687259) is 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)NCc1ccccn1.
What is the InChIKey of 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is SMEMBLHVOQKYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10(5-6-11(15)16)12(17)14-8-9-4-2-3-7-13-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,17).
What are the key properties of 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).