3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide

C15H22N2O2S — CID 97336639

IUPAC3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
SMILESCCS[C@@H]1CC[C@]1(O)CNC(=O)c1ccncc1CC
InChIInChI=1S/C15H22N2O2S/c1-3-11-9-16-8-6-12(11)14(18)17-10-15(19)7-5-13(15)20-4-2/h6,8-9,13,19H,3-5,7,10H2,1-2H3,(H,17,18)/t13-,15+/m1/s1
InChIKeyJCZUVXAKMDLBEA-HIFRSBDPSA-N
MW294.42 g/mol
LogP2.02
Rot. Bonds6

About 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide

3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide (PubChem CID 97336639) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
PubChem CID97336639
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
SMILESCCS[C@@H]1CC[C@]1(O)CNC(=O)c1ccncc1CC
InChIInChI=1S/C15H22N2O2S/c1-3-11-9-16-8-6-12(11)14(18)17-10-15(19)7-5-13(15)20-4-2/h6,8-9,13,19H,3-5,7,10H2,1-2H3,(H,17,18)/t13-,15+/m1/s1
InChIKeyJCZUVXAKMDLBEA-HIFRSBDPSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[[(1R,2S)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
CID 97336636
3-ethyl-N-[[(1S,2S)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
CID 97336637
2-chloro-N-[[(1R,2S)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-3-carboxamide
CID 95972424
N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2,4,6-trifluorobenzamide
CID 96526762
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
2-(1,2-benzoxazol-3-yl)-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]acetamide
CID 95972417
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133357915
(E)-N-[[(1R,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2-methylpent-2-enamide
CID 95972535
N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 86789424
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 114109624
trans-(1R,2S)-2-ethylsulfanyl-1-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 97022387

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide (CID 97336639) is 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide is CCS[C@@H]1CC[C@]1(O)CNC(=O)c1ccncc1CC.
What is the InChIKey of 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide?
The InChIKey is JCZUVXAKMDLBEA-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-11-9-16-8-6-12(11)14(18)17-10-15(19)7-5-13(15)20-4-2/h6,8-9,13,19H,3-5,7,10H2,1-2H3,(H,17,18)/t13-,15+/m1/s1.
What are the key properties of 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide?
3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 97336639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).