N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C19H23N3O3S — CID 25467103

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc[nH]c2=S)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-24-15-6-4-14(5-7-15)17(22-9-11-25-12-10-22)13-21-18(23)16-3-2-8-20-19(16)26/h2-8,17H,9-13H2,1H3,(H,20,26)(H,21,23)/t17-/m0/s1
InChIKeyXWOXHMLQWOAYRD-KRWDZBQOSA-N
MW373.48 g/mol
LogP2.56
Rot. Bonds6

About N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 25467103) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID25467103
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc[nH]c2=S)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-24-15-6-4-14(5-7-15)17(22-9-11-25-12-10-22)13-21-18(23)16-3-2-8-20-19(16)26/h2-8,17H,9-13H2,1H3,(H,20,26)(H,21,23)/t17-/m0/s1
InChIKeyXWOXHMLQWOAYRD-KRWDZBQOSA-N
XLogP2.56
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467101
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17438662
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55331292
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 112503598

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 25467103) is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is COc1ccc([C@H](CNC(=O)c2ccc[nH]c2=S)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is XWOXHMLQWOAYRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-15-6-4-14(5-7-15)17(22-9-11-25-12-10-22)13-21-18(23)16-3-2-8-20-19(16)26/h2-8,17H,9-13H2,1H3,(H,20,26)(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25467103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).