2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide

C12H18ClN3OS — CID 114924724

IUPAC2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCSCCC(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3OS/c1-3-18-5-4-8(2)16-12(17)9-6-11(14)15-7-10(9)13/h6-8H,3-5H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZKLZQOCFAVBBTM-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 114924724) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID114924724
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCSCCC(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3OS/c1-3-18-5-4-8(2)16-12(17)9-6-11(14)15-7-10(9)13/h6-8H,3-5H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZKLZQOCFAVBBTM-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
CID 114923757
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115747545
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 114924724) is 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCSCCC(C)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is ZKLZQOCFAVBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-3-18-5-4-8(2)16-12(17)9-6-11(14)15-7-10(9)13/h6-8H,3-5H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 287.82 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114924724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).