N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide

C15H23ClN2O2S — CID 86883963

IUPACN-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCSC(C)(C)C)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-10(2)20-14-12(16)8-11(9-18-14)13(19)17-6-7-21-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyORTNEWQMVMSFTK-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.78
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide

N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 86883963) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID86883963
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCSC(C)(C)C)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-10(2)20-14-12(16)8-11(9-18-14)13(19)17-6-7-21-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyORTNEWQMVMSFTK-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 78904618
5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87021021
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55856670
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86974330
2-amino-1-(5-chloro-6-propan-2-yloxy-3-pyridinyl)ethanone;hydrochloride
CID 141116458
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47293511

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide (CID 86883963) is N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)NCCSC(C)(C)C)cc1Cl.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is ORTNEWQMVMSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-10(2)20-14-12(16)8-11(9-18-14)13(19)17-6-7-21-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 330.88 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 86883963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).