2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide

C9H12ClN3O2S — CID 115631265

IUPAC2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
SMILESCS(=O)CCNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C9H12ClN3O2S/c1-16(15)3-2-12-9(14)6-4-7(10)13-8(11)5-6/h4-5H,2-3H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCBMQKEORIKIAQG-UHFFFAOYSA-N
MW261.73 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide (PubChem CID 115631265) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
PubChem CID115631265
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
SMILESCS(=O)CCNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C9H12ClN3O2S/c1-16(15)3-2-12-9(14)6-4-7(10)13-8(11)5-6/h4-5H,2-3H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCBMQKEORIKIAQG-UHFFFAOYSA-N
XLogP0.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.43
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

2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 113480509
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide (CID 115631265) is 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide is CS(=O)CCNC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The InChIKey is CBMQKEORIKIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-16(15)3-2-12-9(14)6-4-7(10)13-8(11)5-6/h4-5H,2-3H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115631265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).