N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide

C17H16N2O2S — CID 71781276

IUPACN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C17H16N2O2S/c20-17(16-6-2-10-21-16)19(9-7-15-5-3-11-22-15)13-14-4-1-8-18-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyZPESRNYTXZAPQS-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.62
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide

N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide (PubChem CID 71781276) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
PubChem CID71781276
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C17H16N2O2S/c20-17(16-6-2-10-21-16)19(9-7-15-5-3-11-22-15)13-14-4-1-8-18-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyZPESRNYTXZAPQS-UHFFFAOYSA-N
XLogP3.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Furan-2-carboxylic acid ethyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 24792448
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
3-(2-Furylmethyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1372564
N-[(1Z)-3-[(furan-2-ylmethyl)amino]-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1606763
3-(2-Furylmethyl)-2-(4-pyridinyl)-1,3-thiazolidin-4-one
CID 2999932
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide (CID 71781276) is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide is O=C(c1ccco1)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The InChIKey is ZPESRNYTXZAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-17(16-6-2-10-21-16)19(9-7-15-5-3-11-22-15)13-14-4-1-8-18-12-14/h1-6,8,10-12H,7,9,13H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 71781276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).