6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide

C20H25N3O2S — CID 133357915

IUPAC6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCSC1CCC1(O)CNc1ccc(C(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C20H25N3O2S/c1-3-26-17-10-11-20(17,25)13-22-18-9-6-15(12-21-18)19(24)23-16-7-4-14(2)5-8-16/h4-9,12,17,25H,3,10-11,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWCJYHJSCSZKLBT-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.70
Rot. Bonds7

About 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133357915) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133357915
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCSC1CCC1(O)CNc1ccc(C(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C20H25N3O2S/c1-3-26-17-10-11-20(17,25)13-22-18-9-6-15(12-21-18)19(24)23-16-7-4-14(2)5-8-16/h4-9,12,17,25H,3,10-11,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWCJYHJSCSZKLBT-UHFFFAOYSA-N
XLogP3.70
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133441834
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-(ethylamino)-N-(4-iodophenyl)pyridine-3-carboxamide
CID 62166329
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133326827
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
6-[(2,5-dioxopyrrolidin-1-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 46507746
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133357915) is 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is CCSC1CCC1(O)CNc1ccc(C(=O)Nc2ccc(C)cc2)cn1.
What is the InChIKey of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is WCJYHJSCSZKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-26-17-10-11-20(17,25)13-22-18-9-6-15(12-21-18)19(24)23-16-7-4-14(2)5-8-16/h4-9,12,17,25H,3,10-11,13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133357915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).