N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide

C18H19N3O2 — CID 56826631

IUPACN-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H19N3O2/c1-13-7-8-15(10-19-13)18(23)20-16-9-17(22)21(12-16)11-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,20,23)
InChIKeyLIYGJWWIISMQPE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.92
Rot. Bonds4

About N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide

N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide (PubChem CID 56826631) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
PubChem CID56826631
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H19N3O2/c1-13-7-8-15(10-19-13)18(23)20-16-9-17(22)21(12-16)11-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,20,23)
InChIKeyLIYGJWWIISMQPE-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide (CID 56826631) is N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CC(=O)N(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is LIYGJWWIISMQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-7-8-15(10-19-13)18(23)20-16-9-17(22)21(12-16)11-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,20,23).
What are the key properties of N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide?
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 56826631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).