2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide

C19H31N3O2S — CID 56963160

IUPAC2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)C
InChIInChI=1S/C19H31N3O2S/c1-5-25-19-17(18(23)20-8-6-7-14(2)3)15(4)13-16(21-19)22-9-11-24-12-10-22/h13-14H,5-12H2,1-4H3,(H,20,23)
InChIKeyNQEAMIJRUBTYMJ-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.50
Rot. Bonds8

About 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide

2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 56963160) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID56963160
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)C
InChIInChI=1S/C19H31N3O2S/c1-5-25-19-17(18(23)20-8-6-7-14(2)3)15(4)13-16(21-19)22-9-11-24-12-10-22/h13-14H,5-12H2,1-4H3,(H,20,23)
InChIKeyNQEAMIJRUBTYMJ-UHFFFAOYSA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286966
2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287463
2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963517
2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67287002
N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 70816831
2-ethylsulfanyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67289352
2-ethylsulfanyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286799
2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 70816934
N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 67286979
N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67288271
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
CID 67286792

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 56963160) is 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide is CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)C.
What is the InChIKey of 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is NQEAMIJRUBTYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-5-25-19-17(18(23)20-8-6-7-14(2)3)15(4)13-16(21-19)22-9-11-24-12-10-22/h13-14H,5-12H2,1-4H3,(H,20,23).
What are the key properties of 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide?
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 56963160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).