6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C11H16ClN3OS — CID 113478192

IUPAC6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSCCC(C)NC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-7(5-6-17-2)14-11(16)10-8(12)3-4-9(13)15-10/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyKTCXXFPFTPHWRN-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.19
Rot. Bonds5

About 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 113478192) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID113478192
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSCCC(C)NC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-7(5-6-17-2)14-11(16)10-8(12)3-4-9(13)15-10/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyKTCXXFPFTPHWRN-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
6-amino-3-chloro-N-[1-(diethylamino)propan-2-yl]pyridine-2-carboxamide
CID 62161278
6-amino-3-chloro-N-[4-(furan-2-yl)butan-2-yl]pyridine-2-carboxamide
CID 62185489
6-amino-3-chloro-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 55257710
2-[(3,6-dichloropyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 103602658
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113473020
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62155473

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 113478192) is 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CSCCC(C)NC(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is KTCXXFPFTPHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-7(5-6-17-2)14-11(16)10-8(12)3-4-9(13)15-10/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113478192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).