6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide

C11H16ClN3OS — CID 112664231

IUPAC6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-7(6-17-3)15(2)11(16)10-8(12)4-5-9(13)14-10/h4-5,7H,6H2,1-3H3,(H2,13,14)
InChIKeySAKWRZWXURONJL-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.14
Rot. Bonds4

About 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide

6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 112664231) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
PubChem CID112664231
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-7(6-17-3)15(2)11(16)10-8(12)4-5-9(13)14-10/h4-5,7H,6H2,1-3H3,(H2,13,14)
InChIKeySAKWRZWXURONJL-UHFFFAOYSA-N
XLogP2.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154764
6-amino-3-chloro-N-ethyl-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62153910
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62186020
3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 112664408
6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
CID 55042068
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
CID 95034090
6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62161613
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (CID 112664231) is 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is CSCC(C)N(C)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is SAKWRZWXURONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-7(6-17-3)15(2)11(16)10-8(12)4-5-9(13)14-10/h4-5,7H,6H2,1-3H3,(H2,13,14).
What are the key properties of 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).