3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide

C15H20N4OS — CID 103526426

IUPAC3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCc2ncccc2C)cc1N
InChIInChI=1S/C15H20N4OS/c1-3-6-18-15(20)14-11(16)8-13(21-14)19-9-12-10(2)5-4-7-17-12/h4-5,7-8,19H,3,6,9,16H2,1-2H3,(H,18,20)
InChIKeyGCAXXKZJSFQQMN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide

3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide (PubChem CID 103526426) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
PubChem CID103526426
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCc2ncccc2C)cc1N
InChIInChI=1S/C15H20N4OS/c1-3-6-18-15(20)14-11(16)8-13(21-14)19-9-12-10(2)5-4-7-17-12/h4-5,7-8,19H,3,6,9,16H2,1-2H3,(H,18,20)
InChIKeyGCAXXKZJSFQQMN-UHFFFAOYSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666104
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
CID 106424952
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
4-amino-3-[(3-methyl-2-pyridinyl)methylamino]benzoic acid
CID 82795636
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103526738
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198
3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-N-propylthiophene-2-carboxamide
CID 103509015
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
4-[(3-methyl-2-pyridinyl)methylamino]benzamide
CID 112649993
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide (CID 103526426) is 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCc2ncccc2C)cc1N.
What is the InChIKey of 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide?
The InChIKey is GCAXXKZJSFQQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-6-18-15(20)14-11(16)8-13(21-14)19-9-12-10(2)5-4-7-17-12/h4-5,7-8,19H,3,6,9,16H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide?
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103526426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).