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

C12H11N5OS — CID 103426614

IUPAC4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide
SMILESN#Cc1sc(NCc2cccnc2)c(C(N)=O)c1N
InChIInChI=1S/C12H11N5OS/c13-4-8-10(14)9(11(15)18)12(19-8)17-6-7-2-1-3-16-5-7/h1-3,5,17H,6,14H2,(H2,15,18)
InChIKeyNHRFUIWLGMQMIK-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.31
Rot. Bonds4

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

4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide (PubChem CID 103426614) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide
PubChem CID103426614
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide
SMILESN#Cc1sc(NCc2cccnc2)c(C(N)=O)c1N
InChIInChI=1S/C12H11N5OS/c13-4-8-10(14)9(11(15)18)12(19-8)17-6-7-2-1-3-16-5-7/h1-3,5,17H,6,14H2,(H2,15,18)
InChIKeyNHRFUIWLGMQMIK-UHFFFAOYSA-N
XLogP1.31
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
CID 103427665
4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide
CID 103506195
5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
CID 103426726
2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 175375704
6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 68840066
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 114405316
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
CID 106044889
5-bromo-2-(pyridin-3-ylmethylamino)benzonitrile
CID 78994250
3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-4-fluoro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 79517966

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide (CID 103426614) is 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide is N#Cc1sc(NCc2cccnc2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide?
The InChIKey is NHRFUIWLGMQMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-4-8-10(14)9(11(15)18)12(19-8)17-6-7-2-1-3-16-5-7/h1-3,5,17H,6,14H2,(H2,15,18).
What are the key properties of 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide?
4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).