2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C19H17F3N4O2 — CID 99809079

IUPAC2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccccc1N1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1=O
InChIInChI=1S/C19H17F3N4O2/c1-28-15-7-3-2-6-14(15)26-10-4-5-13(18(26)27)24-17-12(11-23)8-9-16(25-17)19(20,21)22/h2-3,6-9,13H,4-5,10H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyRDMYDGKLMYOQEE-ZDUSSCGKSA-N
MW390.37 g/mol
LogP3.59
Rot. Bonds4

About 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 99809079) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID99809079
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccccc1N1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1=O
InChIInChI=1S/C19H17F3N4O2/c1-28-15-7-3-2-6-14(15)26-10-4-5-13(18(26)27)24-17-12(11-23)8-9-16(25-17)19(20,21)22/h2-3,6-9,13H,4-5,10H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyRDMYDGKLMYOQEE-ZDUSSCGKSA-N
XLogP3.59
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
CID 167951808
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
CID 75372113
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605
2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133439735
2-[[(1R)-2-hydroxy-1-(2-methoxyphenyl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 95628901

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 99809079) is 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is COc1ccccc1N1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1=O.
What is the InChIKey of 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RDMYDGKLMYOQEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-28-15-7-3-2-6-14(15)26-10-4-5-13(18(26)27)24-17-12(11-23)8-9-16(25-17)19(20,21)22/h2-3,6-9,13H,4-5,10H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 390.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 99809079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).