(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H25N5O2 — CID 129366319

IUPAC(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)NCc2nnc3n2CCCC3)CC1=O
InChIInChI=1S/C20H25N5O2/c1-2-14-7-3-4-8-16(14)25-13-15(11-19(25)26)20(27)21-12-18-23-22-17-9-5-6-10-24(17)18/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,21,27)/t15-/m1/s1
InChIKeyIGMVENBNVRBFFI-OAHLLOKOSA-N
MW367.45 g/mol
LogP1.85
Rot. Bonds5

About (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 129366319) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID129366319
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)NCc2nnc3n2CCCC3)CC1=O
InChIInChI=1S/C20H25N5O2/c1-2-14-7-3-4-8-16(14)25-13-15(11-19(25)26)20(27)21-12-18-23-22-17-9-5-6-10-24(17)18/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,21,27)/t15-/m1/s1
InChIKeyIGMVENBNVRBFFI-OAHLLOKOSA-N
XLogP1.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 129366317
1-(2,4-difluorophenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 126767497
(3R)-5-oxo-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 129402656
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
1-(2-ethylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55335688
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51146905
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
1-(2-ethylphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112833300
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 129366319) is (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@H](C(=O)NCc2nnc3n2CCCC3)CC1=O.
What is the InChIKey of (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is IGMVENBNVRBFFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-14-7-3-4-8-16(14)25-13-15(11-19(25)26)20(27)21-12-18-23-22-17-9-5-6-10-24(17)18/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,21,27)/t15-/m1/s1.
What are the key properties of (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 129366319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).