4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide

C14H15N5OS — CID 103427475

IUPAC4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(C)c2cccnc2)sc(C#N)c1N
InChIInChI=1S/C14H15N5OS/c1-8(9-4-3-5-18-7-9)19-14-11(13(20)17-2)12(16)10(6-15)21-14/h3-5,7-8,19H,16H2,1-2H3,(H,17,20)
InChIKeyDQZUGPWVFAMPGG-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide

4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide (PubChem CID 103427475) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
PubChem CID103427475
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(C)c2cccnc2)sc(C#N)c1N
InChIInChI=1S/C14H15N5OS/c1-8(9-4-3-5-18-7-9)19-14-11(13(20)17-2)12(16)10(6-15)21-14/h3-5,7-8,19H,16H2,1-2H3,(H,17,20)
InChIKeyDQZUGPWVFAMPGG-UHFFFAOYSA-N
XLogP2.13
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
CID 103427456
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
CID 103427458
4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide
CID 103426614
3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide
CID 103382902
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
N,2-dimethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 43734586

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide (CID 103427475) is 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide is CNC(=O)c1c(NC(C)c2cccnc2)sc(C#N)c1N.
What is the InChIKey of 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide?
The InChIKey is DQZUGPWVFAMPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(9-4-3-5-18-7-9)19-14-11(13(20)17-2)12(16)10(6-15)21-14/h3-5,7-8,19H,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide?
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.13, 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-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103427475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).