(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H20N6O3 — CID 97075025

IUPAC(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)[C@H]3CCc4nnc(C)n4C3)no2)cc1
InChIInChI=1S/C18H20N6O3/c1-11-21-22-16-8-5-13(10-24(11)16)17(25)19-9-15-20-18(27-23-15)12-3-6-14(26-2)7-4-12/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,19,25)/t13-/m0/s1
InChIKeyLXPVBYPWZVKKFY-ZDUSSCGKSA-N
MW368.40 g/mol
LogP1.52
Rot. Bonds5

About (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97075025) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97075025
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)[C@H]3CCc4nnc(C)n4C3)no2)cc1
InChIInChI=1S/C18H20N6O3/c1-11-21-22-16-8-5-13(10-24(11)16)17(25)19-9-15-20-18(27-23-15)12-3-6-14(26-2)7-4-12/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,19,25)/t13-/m0/s1
InChIKeyLXPVBYPWZVKKFY-ZDUSSCGKSA-N
XLogP1.52
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 53049086
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71911546
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155913485
3-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 91924464
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
(3R)-N-[(2-methoxyphenyl)methyl]-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733298
N-(2-acetamidoethyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 91924469
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136718577
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97075025) is (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc(-c2nc(CNC(=O)[C@H]3CCc4nnc(C)n4C3)no2)cc1.
What is the InChIKey of (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is LXPVBYPWZVKKFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-21-22-16-8-5-13(10-24(11)16)17(25)19-9-15-20-18(27-23-15)12-3-6-14(26-2)7-4-12/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,19,25)/t13-/m0/s1.
What are the key properties of (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97075025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).