N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide

C18H19N3O2 — CID 95594104

IUPACN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H19N3O2/c1-13-6-5-9-16(19-13)18(23)20-15-10-17(22)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyVSNLVKHLXVJTOK-HNNXBMFYSA-N
MW309.37 g/mol
LogP1.92
Rot. Bonds4

About N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide (PubChem CID 95594104) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
PubChem CID95594104
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H19N3O2/c1-13-6-5-9-16(19-13)18(23)20-15-10-17(22)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyVSNLVKHLXVJTOK-HNNXBMFYSA-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

6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 25381252
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97275872
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide (CID 95594104) is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1.
What is the InChIKey of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is VSNLVKHLXVJTOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-5-9-16(19-13)18(23)20-15-10-17(22)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-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-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 95594104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).