6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide

C26H28N4O4S — CID 59700783

IUPAC6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESO=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1ccc(OCCN2CCOCC2)nc1
InChIInChI=1S/C26H28N4O4S/c31-25(21-9-10-24(27-18-21)33-16-13-30-11-14-32-15-12-30)29-26(35)28-22-7-4-8-23(17-22)34-19-20-5-2-1-3-6-20/h1-10,17-18H,11-16,19H2,(H2,28,29,31,35)
InChIKeyRFVCTWGRANTATO-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.50
Rot. Bonds9

About 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide

6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide (PubChem CID 59700783) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
PubChem CID59700783
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESO=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1ccc(OCCN2CCOCC2)nc1
InChIInChI=1S/C26H28N4O4S/c31-25(21-9-10-24(27-18-21)33-16-13-30-11-14-32-15-12-30)29-26(35)28-22-7-4-8-23(17-22)34-19-20-5-2-1-3-6-20/h1-10,17-18H,11-16,19H2,(H2,28,29,31,35)
InChIKeyRFVCTWGRANTATO-UHFFFAOYSA-N
XLogP3.50
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 87448150
6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59700734
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
N-[[3,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]carbamothioyl]benzamide
CID 118961535
3-ethoxy-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]benzamide
CID 84559063
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
3-bromo-4-(2-phenylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086254
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
CID 25173086
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide (CID 59700783) is 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide is O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1ccc(OCCN2CCOCC2)nc1.
What is the InChIKey of 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The InChIKey is RFVCTWGRANTATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c31-25(21-9-10-24(27-18-21)33-16-13-30-11-14-32-15-12-30)29-26(35)28-22-7-4-8-23(17-22)34-19-20-5-2-1-3-6-20/h1-10,17-18H,11-16,19H2,(H2,28,29,31,35).
What are the key properties of 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 59700783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).