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

C24H32N4O4S — CID 59700734

IUPAC6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCCN3CCOCC3)nc2)cc1
InChIInChI=1S/C24H32N4O4S/c1-2-3-4-14-31-21-8-6-20(7-9-21)26-24(33)27-23(29)19-5-10-22(25-18-19)32-17-13-28-11-15-30-16-12-28/h5-10,18H,2-4,11-17H2,1H3,(H2,26,27,29,33)
InChIKeyPQBOVPSRWHJUPE-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.49
Rot. Bonds11

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

6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide (PubChem CID 59700734) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
PubChem CID59700734
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCCN3CCOCC3)nc2)cc1
InChIInChI=1S/C24H32N4O4S/c1-2-3-4-14-31-21-8-6-20(7-9-21)26-24(33)27-23(29)19-5-10-22(25-18-19)32-17-13-28-11-15-30-16-12-28/h5-10,18H,2-4,11-17H2,1H3,(H2,26,27,29,33)
InChIKeyPQBOVPSRWHJUPE-UHFFFAOYSA-N
XLogP3.49
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59700783
6-chloro-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59786831
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
N-[(4-iodophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935594
2-(2-morpholin-4-ylethoxy)-N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide
CID 87448499
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4933896
4-butoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 7312503
N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-pentoxybenzamide
CID 17194285
N-[(6-chloro-3-pyridinyl)carbamothioyl]-4-pentoxybenzamide
CID 54788165

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide (CID 59700734) is 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide is CCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OCCN3CCOCC3)nc2)cc1.
What is the InChIKey of 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The InChIKey is PQBOVPSRWHJUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-2-3-4-14-31-21-8-6-20(7-9-21)26-24(33)27-23(29)19-5-10-22(25-18-19)32-17-13-28-11-15-30-16-12-28/h5-10,18H,2-4,11-17H2,1H3,(H2,26,27,29,33).
What are the key properties of 6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide?
6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.49, 11 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-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 59700734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).