N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide

C24H33N3O2S — CID 25308478

IUPACN-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC
InChIInChI=1S/C24H33N3O2S/c1-4-27(24(28)22-11-6-13-25-23(22)30-3)18-20-9-7-14-26(17-20)15-12-19-8-5-10-21(16-19)29-2/h5-6,8,10-11,13,16,20H,4,7,9,12,14-15,17-18H2,1-3H3/t20-/m0/s1
InChIKeyQHAMFSPQEMQJPC-FQEVSTJZSA-N
MW427.61 g/mol
LogP4.23
Rot. Bonds9

About N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide

N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 25308478) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID25308478
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC
InChIInChI=1S/C24H33N3O2S/c1-4-27(24(28)22-11-6-13-25-23(22)30-3)18-20-9-7-14-26(17-20)15-12-19-8-5-10-21(16-19)29-2/h5-6,8,10-11,13,16,20H,4,7,9,12,14-15,17-18H2,1-3H3/t20-/m0/s1
InChIKeyQHAMFSPQEMQJPC-FQEVSTJZSA-N
XLogP4.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25308472
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 25308478) is N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide is CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC.
What is the InChIKey of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is QHAMFSPQEMQJPC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-4-27(24(28)22-11-6-13-25-23(22)30-3)18-20-9-7-14-26(17-20)15-12-19-8-5-10-21(16-19)29-2/h5-6,8,10-11,13,16,20H,4,7,9,12,14-15,17-18H2,1-3H3/t20-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 427.61 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 25308478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).