5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

C11H16ClN3OS — CID 114089506

IUPAC5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCC(C)CNC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H16ClN3OS/c1-7(6-17-2)4-15-11(16)8-3-10(12)14-5-9(8)13/h3,5,7H,4,6,13H2,1-2H3,(H,15,16)
InChIKeyXLPCDCCYQQPWBE-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.05
Rot. Bonds5

About 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 114089506) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID114089506
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCC(C)CNC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H16ClN3OS/c1-7(6-17-2)4-15-11(16)8-3-10(12)14-5-9(8)13/h3,5,7H,4,6,13H2,1-2H3,(H,15,16)
InChIKeyXLPCDCCYQQPWBE-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
CID 114089562
5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 102705609
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (CID 114089506) is 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is CSCC(C)CNC(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is XLPCDCCYQQPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-7(6-17-2)4-15-11(16)8-3-10(12)14-5-9(8)13/h3,5,7H,4,6,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114089506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).