5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide

C15H18ClN3OS — CID 133349938

IUPAC5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
SMILESCC(C)(C)C(Nc1ncc(C(N)=O)cc1Cl)c1cccs1
InChIInChI=1S/C15H18ClN3OS/c1-15(2,3)12(11-5-4-6-21-11)19-14-10(16)7-9(8-18-14)13(17)20/h4-8,12H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyGUCFWDSSQKZPJJ-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.09
Rot. Bonds4

About 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide

5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide (PubChem CID 133349938) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
PubChem CID133349938
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
SMILESCC(C)(C)C(Nc1ncc(C(N)=O)cc1Cl)c1cccs1
InChIInChI=1S/C15H18ClN3OS/c1-15(2,3)12(11-5-4-6-21-11)19-14-10(16)7-9(8-18-14)13(17)20/h4-8,12H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyGUCFWDSSQKZPJJ-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
CID 133397446
6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide
CID 133294775
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxamide
CID 133353158
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine
CID 133349950
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
CID 133349963

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide (CID 133349938) is 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide is CC(C)(C)C(Nc1ncc(C(N)=O)cc1Cl)c1cccs1.
What is the InChIKey of 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide?
The InChIKey is GUCFWDSSQKZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-15(2,3)12(11-5-4-6-21-11)19-14-10(16)7-9(8-18-14)13(17)20/h4-8,12H,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide?
5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133349938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).