(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide

C18H19N3O2 — CID 29136965

IUPAC(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-12-7-6-10-19-17(12)20-18(23)14-11-15(22)21(2)16(14)13-8-4-3-5-9-13/h3-10,14,16H,11H2,1-2H3,(H,19,20,23)/t14-,16+/m0/s1
InChIKeyUWHJYRRBSQDPKC-GOEBONIOSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds3

About (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 29136965) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID29136965
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-12-7-6-10-19-17(12)20-18(23)14-11-15(22)21(2)16(14)13-8-4-3-5-9-13/h3-10,14,16H,11H2,1-2H3,(H,19,20,23)/t14-,16+/m0/s1
InChIKeyUWHJYRRBSQDPKC-GOEBONIOSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652477
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676
(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130811
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95767503
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 29136965) is (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide is Cc1cccnc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is UWHJYRRBSQDPKC-GOEBONIOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-7-6-10-19-17(12)20-18(23)14-11-15(22)21(2)16(14)13-8-4-3-5-9-13/h3-10,14,16H,11H2,1-2H3,(H,19,20,23)/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29136965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).