[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

C17H16N4O4S — CID 9381121

IUPAC[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESN#Cc1ccsc1NC(=O)COC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C17H16N4O4S/c18-10-12-3-9-26-16(12)20-14(22)11-25-17(23)13-2-1-4-19-15(13)21-5-7-24-8-6-21/h1-4,9H,5-8,11H2,(H,20,22)
InChIKeyHXMQQTMEHPQQSQ-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.65
Rot. Bonds5

About [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 9381121) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID9381121
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESN#Cc1ccsc1NC(=O)COC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C17H16N4O4S/c18-10-12-3-9-26-16(12)20-14(22)11-25-17(23)13-2-1-4-19-15(13)21-5-7-24-8-6-21/h1-4,9H,5-8,11H2,(H,20,22)
InChIKeyHXMQQTMEHPQQSQ-UHFFFAOYSA-N
XLogP1.65
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 46574851
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045332
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 16501758
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045311
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927035
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11924968
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8904958
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate
CID 9381110
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55522675
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596720
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 8820555

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (CID 9381121) is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is N#Cc1ccsc1NC(=O)COC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is HXMQQTMEHPQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c18-10-12-3-9-26-16(12)20-14(22)11-25-17(23)13-2-1-4-19-15(13)21-5-7-24-8-6-21/h1-4,9H,5-8,11H2,(H,20,22).
What are the key properties of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 372.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 9381121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).