N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide

C13H15N3OS — CID 78956358

IUPACN,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2cccs2)nc1
InChIInChI=1S/C13H15N3OS/c1-16(2)13(17)10-5-6-12(14-8-10)15-9-11-4-3-7-18-11/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyIQTAFMCHRKOXLB-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.46
Rot. Bonds4

About N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide

N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 78956358) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID78956358
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2cccs2)nc1
InChIInChI=1S/C13H15N3OS/c1-16(2)13(17)10-5-6-12(14-8-10)15-9-11-4-3-7-18-11/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyIQTAFMCHRKOXLB-UHFFFAOYSA-N
XLogP2.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
N-ethyl-6-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175204
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-(cyclopropylamino)-N,N-bis(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 60563556
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide (CID 78956358) is N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCc2cccs2)nc1.
What is the InChIKey of N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is IQTAFMCHRKOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-16(2)13(17)10-5-6-12(14-8-10)15-9-11-4-3-7-18-11/h3-8H,9H2,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide?
N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 78956358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).