N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

C20H24N2O4S — CID 100734053

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(O[C@H]3CCSC3)c2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-24-17-4-3-14(11-18(17)25-2)5-8-22-20(23)15-6-9-21-19(12-15)26-16-7-10-27-13-16/h3-4,6,9,11-12,16H,5,7-8,10,13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeySUOZLNFTSMQPMJ-INIZCTEOSA-N
MW388.49 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100734053) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100734053
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(O[C@H]3CCSC3)c2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-24-17-4-3-14(11-18(17)25-2)5-8-22-20(23)15-6-9-21-19(12-15)26-16-7-10-27-13-16/h3-4,6,9,11-12,16H,5,7-8,10,13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeySUOZLNFTSMQPMJ-INIZCTEOSA-N
XLogP2.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-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-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734079
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735623
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082174
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100734053) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is COc1ccc(CCNC(=O)c2ccnc(O[C@H]3CCSC3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is SUOZLNFTSMQPMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-24-17-4-3-14(11-18(17)25-2)5-8-22-20(23)15-6-9-21-19(12-15)26-16-7-10-27-13-16/h3-4,6,9,11-12,16H,5,7-8,10,13H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100734053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).