3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide

C14H15N5OS — CID 103505469

IUPAC3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
SMILESCCN(Cc1ccccn1)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H15N5OS/c1-2-19(8-9-5-3-4-6-18-9)14-10(7-15)11(16)12(21-14)13(17)20/h3-6H,2,8,16H2,1H3,(H2,17,20)
InChIKeyWUSHRGIHJGNOFL-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide

3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide (PubChem CID 103505469) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
PubChem CID103505469
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
SMILESCCN(Cc1ccccn1)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H15N5OS/c1-2-19(8-9-5-3-4-6-18-9)14-10(7-15)11(16)12(21-14)13(17)20/h3-6H,2,8,16H2,1H3,(H2,17,20)
InChIKeyWUSHRGIHJGNOFL-UHFFFAOYSA-N
XLogP1.72
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103509018
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile
CID 103505486
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
CID 103419175
3-amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383364
6-[ethyl(pyridin-2-ylmethyl)amino]pyridazine-3-carbonitrile
CID 133419199
5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103509011

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide (CID 103505469) is 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide is CCN(Cc1ccccn1)c1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
The InChIKey is WUSHRGIHJGNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-19(8-9-5-3-4-6-18-9)14-10(7-15)11(16)12(21-14)13(17)20/h3-6H,2,8,16H2,1H3,(H2,17,20).
What are the key properties of 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103505469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).