(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

C20H25N5O2 — CID 129366317

IUPAC(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
SMILESCc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CCCC4)CC2=O)c1C
InChIInChI=1S/C20H25N5O2/c1-13-6-5-7-16(14(13)2)25-12-15(10-19(25)26)20(27)21-11-18-23-22-17-8-3-4-9-24(17)18/h5-7,15H,3-4,8-12H2,1-2H3,(H,21,27)/t15-/m1/s1
InChIKeyXNFVVUYKJJWSJX-OAHLLOKOSA-N
MW367.45 g/mol
LogP1.90
Rot. Bonds4

About (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

(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 (PubChem CID 129366317) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129366317
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(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
SMILESCc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CCCC4)CC2=O)c1C
InChIInChI=1S/C20H25N5O2/c1-13-6-5-7-16(14(13)2)25-12-15(10-19(25)26)20(27)21-11-18-23-22-17-8-3-4-9-24(17)18/h5-7,15H,3-4,8-12H2,1-2H3,(H,21,27)/t15-/m1/s1
InChIKeyXNFVVUYKJJWSJX-OAHLLOKOSA-N
XLogP1.90
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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-(2,4-difluorophenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 126767497
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
(3S)-1-(2,3-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 40741530
1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55717401
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7369903
1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 136516913

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CCCC4)CC2=O)c1C.
What is the InChIKey of (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?
The InChIKey is XNFVVUYKJJWSJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-6-5-7-16(14(13)2)25-12-15(10-19(25)26)20(27)21-11-18-23-22-17-8-3-4-9-24(17)18/h5-7,15H,3-4,8-12H2,1-2H3,(H,21,27)/t15-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 367.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129366317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).