2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide

C13H14ClN3OS — CID 62167624

IUPAC2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2cccs2)cc(Cl)n1
InChIInChI=1S/C13H14ClN3OS/c1-15-12-8-9(7-11(14)17-12)13(18)16-5-4-10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H,16,18)
InChIKeyVMZVHSXEWXUQBW-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide

2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide (PubChem CID 62167624) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
PubChem CID62167624
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2cccs2)cc(Cl)n1
InChIInChI=1S/C13H14ClN3OS/c1-15-12-8-9(7-11(14)17-12)13(18)16-5-4-10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H,16,18)
InChIKeyVMZVHSXEWXUQBW-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62171208
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62248621
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide (CID 62167624) is 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCCc2cccs2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is VMZVHSXEWXUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-15-12-8-9(7-11(14)17-12)13(18)16-5-4-10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62167624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).