3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C12H13N3OS — CID 104741052

IUPAC3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ncccc1N
InChIInChI=1S/C12H13N3OS/c1-15(8-9-4-3-7-17-9)12(16)11-10(13)5-2-6-14-11/h2-7H,8,13H2,1H3
InChIKeyDDWWJEVVSNCUJM-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 104741052) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID104741052
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ncccc1N
InChIInChI=1S/C12H13N3OS/c1-15(8-9-4-3-7-17-9)12(16)11-10(13)5-2-6-14-11/h2-7H,8,13H2,1H3
InChIKeyDDWWJEVVSNCUJM-UHFFFAOYSA-N
XLogP2.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
4-amino-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65355621
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 104741052) is 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is CN(Cc1cccs1)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DDWWJEVVSNCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15(8-9-4-3-7-17-9)12(16)11-10(13)5-2-6-14-11/h2-7H,8,13H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).