(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H19N5O2 — CID 94816759

IUPAC(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1nnc2ccccn12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c1-22(13-17-21-20-16-9-5-6-10-23(16)17)19(26)14-11-18(25)24(12-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3/t14-/m1/s1
InChIKeyVRGLSMHDLMOBBO-CQSZACIVSA-N
MW349.39 g/mol
LogP1.74
Rot. Bonds4

About (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 94816759) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID94816759
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1nnc2ccccn12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c1-22(13-17-21-20-16-9-5-6-10-23(16)17)19(26)14-11-18(25)24(12-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3/t14-/m1/s1
InChIKeyVRGLSMHDLMOBBO-CQSZACIVSA-N
XLogP1.74
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 124939225
(3R)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129490756
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42896459
5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 86207232
N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110614254
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110629660
1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 90570469
1-(2-ethoxyphenyl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51181913
(3R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97123529

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 94816759) is (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1nnc2ccccn12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is VRGLSMHDLMOBBO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-22(13-17-21-20-16-9-5-6-10-23(16)17)19(26)14-11-18(25)24(12-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94816759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).