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

C14H14N4OS — CID 103426681

IUPAC4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NCc2ccncc2)c(C#N)c1N
InChIInChI=1S/C14H14N4OS/c1-2-11(19)13-12(16)10(7-15)14(20-13)18-8-9-3-5-17-6-4-9/h3-6,18H,2,8,16H2,1H3
InChIKeyGXBIKFXFJHEUSF-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.80
Rot. Bonds5

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

4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile (PubChem CID 103426681) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
PubChem CID103426681
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NCc2ccncc2)c(C#N)c1N
InChIInChI=1S/C14H14N4OS/c1-2-11(19)13-12(16)10(7-15)14(20-13)18-8-9-3-5-17-6-4-9/h3-6,18H,2,8,16H2,1H3
InChIKeyGXBIKFXFJHEUSF-UHFFFAOYSA-N
XLogP2.80
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
CID 103427456
4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
4-amino-5-propanoyl-2-(5,5,5-trifluoropentylamino)thiophene-3-carbonitrile
CID 103506050
4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
CID 103508622
5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
CID 103426726
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
4-amino-5-propanoyl-2-(4-propan-2-yloxybutylamino)thiophene-3-carbonitrile
CID 106017458
1-[3-amino-4-propan-2-yloxy-5-(pyridin-4-ylmethylamino)thiophen-2-yl]ethanone
CID 103426694
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile (CID 103426681) is 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile is CCC(=O)c1sc(NCc2ccncc2)c(C#N)c1N.
What is the InChIKey of 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile?
The InChIKey is GXBIKFXFJHEUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-11(19)13-12(16)10(7-15)14(20-13)18-8-9-3-5-17-6-4-9/h3-6,18H,2,8,16H2,1H3.
What are the key properties of 4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile?
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 2.80, 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-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 103426681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).