4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile

C15H16N4OS — CID 103427456

IUPAC4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NC(C)c2cccnc2)c(C#N)c1N
InChIInChI=1S/C15H16N4OS/c1-3-12(20)14-13(17)11(7-16)15(21-14)19-9(2)10-5-4-6-18-8-10/h4-6,8-9,19H,3,17H2,1-2H3
InChIKeyFBCYZDGABKHERS-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.36
Rot. Bonds5

About 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile

4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile (PubChem CID 103427456) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
PubChem CID103427456
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NC(C)c2cccnc2)c(C#N)c1N
InChIInChI=1S/C15H16N4OS/c1-3-12(20)14-13(17)11(7-16)15(21-14)19-9(2)10-5-4-6-18-8-10/h4-6,8-9,19H,3,17H2,1-2H3
InChIKeyFBCYZDGABKHERS-UHFFFAOYSA-N
XLogP3.36
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one
CID 103427489
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472
3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
CID 103427458
4-amino-5-propanoyl-2-(4-propan-2-yloxybutylamino)thiophene-3-carbonitrile
CID 106017458
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526509
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile (CID 103427456) is 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile is CCC(=O)c1sc(NC(C)c2cccnc2)c(C#N)c1N.
What is the InChIKey of 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile?
The InChIKey is FBCYZDGABKHERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-12(20)14-13(17)11(7-16)15(21-14)19-9(2)10-5-4-6-18-8-10/h4-6,8-9,19H,3,17H2,1-2H3.
What are the key properties of 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile?
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 103427456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).