N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide

C21H20N4O3S — CID 55783677

IUPACN-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H20N4O3S/c26-19(7-10-23-21(28)16-8-11-29-14-16)25-17-6-3-4-15(12-17)20(27)24-13-18-5-1-2-9-22-18/h1-6,8-9,11-12,14H,7,10,13H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyAIQQOSRLGPQTBH-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.83
Rot. Bonds8

About N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide

N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide (PubChem CID 55783677) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
PubChem CID55783677
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H20N4O3S/c26-19(7-10-23-21(28)16-8-11-29-14-16)25-17-6-3-4-15(12-17)20(27)24-13-18-5-1-2-9-22-18/h1-6,8-9,11-12,14H,7,10,13H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyAIQQOSRLGPQTBH-UHFFFAOYSA-N
XLogP2.83
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55783491
3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 56580226
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
5-(methoxymethyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332364

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide (CID 55783677) is N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide?
The InChIKey is AIQQOSRLGPQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c26-19(7-10-23-21(28)16-8-11-29-14-16)25-17-6-3-4-15(12-17)20(27)24-13-18-5-1-2-9-22-18/h1-6,8-9,11-12,14H,7,10,13H2,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 55783677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).