N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide

C20H21N5O2S — CID 124844112

IUPACN-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESCc1ccc(-n2cnnc2CNC(=O)c2cccnc2O[C@H]2CCSC2)cc1
InChIInChI=1S/C20H21N5O2S/c1-14-4-6-15(7-5-14)25-13-23-24-18(25)11-22-19(26)17-3-2-9-21-20(17)27-16-8-10-28-12-16/h2-7,9,13,16H,8,10-12H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyFQPBHRAAVYLJCQ-INIZCTEOSA-N
MW395.49 g/mol
LogP2.79
Rot. Bonds6

About N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide

N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124844112) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124844112
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESCc1ccc(-n2cnnc2CNC(=O)c2cccnc2O[C@H]2CCSC2)cc1
InChIInChI=1S/C20H21N5O2S/c1-14-4-6-15(7-5-14)25-13-23-24-18(25)11-22-19(26)17-3-2-9-21-20(17)27-16-8-10-28-12-16/h2-7,9,13,16H,8,10-12H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyFQPBHRAAVYLJCQ-INIZCTEOSA-N
XLogP2.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815756
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 124844112) is N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide is Cc1ccc(-n2cnnc2CNC(=O)c2cccnc2O[C@H]2CCSC2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is FQPBHRAAVYLJCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-4-6-15(7-5-14)25-13-23-24-18(25)11-22-19(26)17-3-2-9-21-20(17)27-16-8-10-28-12-16/h2-7,9,13,16H,8,10-12H2,1H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124844112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).