1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide

C18H17N5O3 — CID 126786111

IUPAC1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2nncn2c1)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C18H17N5O3/c24-15-6-2-1-4-13(15)18(26)23-9-3-5-14(23)17(25)20-12-7-8-16-21-19-11-22(16)10-12/h1-2,4,6-8,10-11,14,24H,3,5,9H2,(H,20,25)
InChIKeyLNXQLEIUYDJZJA-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide

1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 126786111) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
PubChem CID126786111
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2nncn2c1)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C18H17N5O3/c24-15-6-2-1-4-13(15)18(26)23-9-3-5-14(23)17(25)20-12-7-8-16-21-19-11-22(16)10-12/h1-2,4,6-8,10-11,14,24H,3,5,9H2,(H,20,25)
InChIKeyLNXQLEIUYDJZJA-UHFFFAOYSA-N
XLogP1.68
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide
CID 127758750
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126785198
(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 124661275
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 154745583
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909
(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 94441390
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2R)-1-(2-ethylbenzoyl)-N-[4-[2-[4-[[(2S)-1-(2-ethylbenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91187579
(2S)-1-(2-piperidin-1-ylbenzoyl)-N-[4-[2-[4-[[(2S)-1-(2-piperidin-1-ylbenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90799721
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide (CID 126786111) is 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2nncn2c1)C1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is LNXQLEIUYDJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-15-6-2-1-4-13(15)18(26)23-9-3-5-14(23)17(25)20-12-7-8-16-21-19-11-22(16)10-12/h1-2,4,6-8,10-11,14,24H,3,5,9H2,(H,20,25).
What are the key properties of 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126786111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).