1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C12H15N3O2 — CID 110687261

IUPAC1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1ccncc1
InChIInChI=1S/C12H15N3O2/c1-15-10(2-3-11(15)16)12(17)14-8-9-4-6-13-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,14,17)
InChIKeyDXKXXIAPWQDFSF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.32
Rot. Bonds3

About 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 110687261) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID110687261
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1ccncc1
InChIInChI=1S/C12H15N3O2/c1-15-10(2-3-11(15)16)12(17)14-8-9-4-6-13-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,14,17)
InChIKeyDXKXXIAPWQDFSF-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-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314
N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146142207
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 95739648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 110687261) is 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)NCc1ccncc1.
What is the InChIKey of 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is DXKXXIAPWQDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10(2-3-11(15)16)12(17)14-8-9-4-6-13-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,14,17).
What are the key properties of 1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
1-methyl-5-oxo-N-(pyridin-4-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-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110687261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).