2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide

C13H16N4OS — CID 114194969

IUPAC2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
SMILESCC(c1cccs1)N(C)c1cnc(N)cc1C(N)=O
InChIInChI=1S/C13H16N4OS/c1-8(11-4-3-5-19-11)17(2)10-7-16-12(14)6-9(10)13(15)18/h3-8H,1-2H3,(H2,14,16)(H2,15,18)
InChIKeyPJVPWGZSNDMHQX-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide

2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide (PubChem CID 114194969) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
PubChem CID114194969
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
SMILESCC(c1cccs1)N(C)c1cnc(N)cc1C(N)=O
InChIInChI=1S/C13H16N4OS/c1-8(11-4-3-5-19-11)17(2)10-7-16-12(14)6-9(10)13(15)18/h3-8H,1-2H3,(H2,14,16)(H2,15,18)
InChIKeyPJVPWGZSNDMHQX-UHFFFAOYSA-N
XLogP2.02
TPSA85.24 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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81243871
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 54980798
6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54981127
2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 81276573
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 54980639
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide (CID 114194969) is 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide is CC(c1cccs1)N(C)c1cnc(N)cc1C(N)=O.
What is the InChIKey of 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
The InChIKey is PJVPWGZSNDMHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(11-4-3-5-19-11)17(2)10-7-16-12(14)6-9(10)13(15)18/h3-8H,1-2H3,(H2,14,16)(H2,15,18).
What are the key properties of 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114194969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).