(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

C17H23N5O2 — CID 36999930

IUPAC(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCCc2nnc3ccccn23)CC1=O
InChIInChI=1S/C17H23N5O2/c1-12(2)10-21-11-13(9-16(21)23)17(24)18-7-6-15-20-19-14-5-3-4-8-22(14)15/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,18,24)/t13-/m0/s1
InChIKeyZZYJHVVMWGRNHJ-ZDUSSCGKSA-N
MW329.40 g/mol
LogP0.89
Rot. Bonds6

About (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 36999930) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID36999930
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCCc2nnc3ccccn23)CC1=O
InChIInChI=1S/C17H23N5O2/c1-12(2)10-21-11-13(9-16(21)23)17(24)18-7-6-15-20-19-14-5-3-4-8-22(14)15/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,18,24)/t13-/m0/s1
InChIKeyZZYJHVVMWGRNHJ-ZDUSSCGKSA-N
XLogP0.89
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 43018498
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
1-(2-ethoxyphenyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 51208296
1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70737647
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide
CID 95859560
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97429696
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 36999930) is (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)NCCc2nnc3ccccn23)CC1=O.
What is the InChIKey of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZZYJHVVMWGRNHJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)10-21-11-13(9-16(21)23)17(24)18-7-6-15-20-19-14-5-3-4-8-22(14)15/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,18,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 36999930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).