5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide

C13H14N4O2S — CID 103426726

IUPAC5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
SMILESCC(=O)c1sc(NCc2ccncc2)c(C(N)=O)c1N
InChIInChI=1S/C13H14N4O2S/c1-7(18)11-10(14)9(12(15)19)13(20-11)17-6-8-2-4-16-5-3-8/h2-5,17H,6,14H2,1H3,(H2,15,19)
InChIKeyGSRKKUCVOPUIRN-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.64
Rot. Bonds5

About 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide

5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide (PubChem CID 103426726) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
PubChem CID103426726
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
SMILESCC(=O)c1sc(NCc2ccncc2)c(C(N)=O)c1N
InChIInChI=1S/C13H14N4O2S/c1-7(18)11-10(14)9(12(15)19)13(20-11)17-6-8-2-4-16-5-3-8/h2-5,17H,6,14H2,1H3,(H2,15,19)
InChIKeyGSRKKUCVOPUIRN-UHFFFAOYSA-N
XLogP1.64
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-4-propan-2-yloxy-5-(pyridin-4-ylmethylamino)thiophen-2-yl]ethanone
CID 103426694
5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
CID 103507969
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
ethyl 5-acetyl-4-amino-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxylate
CID 103433771
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
CID 91071106
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide
CID 103433645
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103506882
benzyl 4-acetyl-5-(benzylamino)-3-methylthiophene-2-carboxylate
CID 167489003
methyl 4-amino-5-carbamoyl-2-(thiophen-2-ylmethylamino)thiophene-3-carboxylate
CID 103427232

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide (CID 103426726) is 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide is CC(=O)c1sc(NCc2ccncc2)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide?
The InChIKey is GSRKKUCVOPUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7(18)11-10(14)9(12(15)19)13(20-11)17-6-8-2-4-16-5-3-8/h2-5,17H,6,14H2,1H3,(H2,15,19).
What are the key properties of 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide?
5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103426726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).