2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C12H12ClN3OS — CID 62154274

IUPAC2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c1-16(7-9-3-2-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyMFUVUMKTFKGIIN-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.65
Rot. Bonds3

About 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 62154274) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID62154274
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c1-16(7-9-3-2-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyMFUVUMKTFKGIIN-UHFFFAOYSA-N
XLogP2.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 17429130
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62248621
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 62154274) is 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is CN(Cc1cccs1)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MFUVUMKTFKGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-16(7-9-3-2-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h2-6H,7H2,1H3,(H2,14,15).
What are the key properties of 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62154274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).