3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide

C13H16N4OS — CID 103509283

IUPAC3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)Cc2ccncc2)cc1N
InChIInChI=1S/C13H16N4OS/c1-15-13(18)12-10(14)7-11(19-12)17(2)8-9-3-5-16-6-4-9/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyPAKPUXBVEGEEES-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.72
Rot. Bonds4

About 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide

3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide (PubChem CID 103509283) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
PubChem CID103509283
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)Cc2ccncc2)cc1N
InChIInChI=1S/C13H16N4OS/c1-15-13(18)12-10(14)7-11(19-12)17(2)8-9-3-5-16-6-4-9/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyPAKPUXBVEGEEES-UHFFFAOYSA-N
XLogP1.72
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509289
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103420742
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420709
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379544
3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide
CID 103417671
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
CID 114405544
4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
CID 63357471
methyl 3-amino-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 115934191
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
CID 103509196

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide (CID 103509283) is 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide is CNC(=O)c1sc(N(C)Cc2ccncc2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide?
The InChIKey is PAKPUXBVEGEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-15-13(18)12-10(14)7-11(19-12)17(2)8-9-3-5-16-6-4-9/h3-7H,8,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide?
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103509283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).