(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one

C68H73ClF6N8O6 — CID 159236521

IUPAC(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
SMILESCN[C@@H](Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccc(OC)cc2C)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2Cl)nc1)C(C)=O
InChIInChI=1S/C18H22N2O2.C17H17F3N2O2.C17H17F3N2O.C16H17ClN2O/c1-12-9-15(22-4)6-7-16(12)17-8-5-14(11-20-17)10-18(19-3)13(2)21;1-11(23)16(21-2)9-12-3-8-15(22-10-12)13-4-6-14(7-5-13)24-17(18,19)20;1-11(23)16(21-2)8-12-6-7-15(22-10-12)13-4-3-5-14(9-13)17(18,19)20;1-11(20)16(18-2)9-12-7-8-15(19-10-12)13-5-3-4-6-14(13)17/h5-9,11,18-19H,10H2,1-4H3;3-8,10,16,21H,9H2,1-2H3;3-7,9-10,16,21H,8H2,1-2H3;3-8,10,16,18H,9H2,1-2H3/t18-;3*16-/m0000/s1
InChIKeyKTNSNOMVNJCIOR-VSLDECCYSA-N
MW1247.82 g/mol
LogP12.76
Rot. Bonds22

About (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one

(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one (PubChem CID 159236521) has the molecular formula C68H73ClF6N8O6 and a molecular weight of 1247.82 g/mol. Its IUPAC name is (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one.

Molecular Properties

Compound Name(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
PubChem CID159236521
Molecular FormulaC68H73ClF6N8O6
Molecular Weight1247.82 g/mol
Exact Mass1246.52
IUPAC Name(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
SMILESCN[C@@H](Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccc(OC)cc2C)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2Cl)nc1)C(C)=O
InChIInChI=1S/C18H22N2O2.C17H17F3N2O2.C17H17F3N2O.C16H17ClN2O/c1-12-9-15(22-4)6-7-16(12)17-8-5-14(11-20-17)10-18(19-3)13(2)21;1-11(23)16(21-2)9-12-3-8-15(22-10-12)13-4-6-14(7-5-13)24-17(18,19)20;1-11(23)16(21-2)8-12-6-7-15(22-10-12)13-4-3-5-14(9-13)17(18,19)20;1-11(20)16(18-2)9-12-7-8-15(19-10-12)13-5-3-4-6-14(13)17/h5-9,11,18-19H,10H2,1-4H3;3-8,10,16,21H,9H2,1-2H3;3-7,9-10,16,21H,8H2,1-2H3;3-8,10,16,18H,9H2,1-2H3/t18-;3*16-/m0000/s1
InChIKeyKTNSNOMVNJCIOR-VSLDECCYSA-N
XLogP12.76
TPSA186.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001247.82
LogP ≤ 512.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[4-[4-[3-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-(trifluoromethyl)phenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 170696367
N-[[4-[3-chloro-4-[2-chloro-3-[5-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2,2-difluoroethyl)piperidin-4-amine
CID 170696895
4-[[4-[3-Chloro-4-[2-chloro-3-[6-methoxy-5-[[(1-methyl-2-oxopiperidin-4-yl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-(difluoromethoxy)phenyl]methylamino]-1-methylpiperidin-2-one
CID 170697042
N-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 170697104
1-Chloro-2,3-di(propan-2-yl)benzene;6-chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 157423821
(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 158409328
(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 158677476
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 158959375
(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 159381290
N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 159446430
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 159971624
N-(1-adamantyl)-6-(2-chlorophenyl)pyridine-2-carboxamide;N-(1-adamantyl)-6-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide;N-(1-adamantyl)-6-(2-fluorophenyl)pyridine-2-carboxamide;N-(1-adamantyl)-6-(2-methoxyphenyl)pyridine-2-carboxamide;N-(1-adamantyl)-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-adamantyl)-6-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 160078017

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one?
The IUPAC name of (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one (CID 159236521) is (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one.
What is the SMILES notation for (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one?
The canonical SMILES for (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one is CN[C@@H](Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccc(OC)cc2C)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2Cl)nc1)C(C)=O.
What is the InChIKey of (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one?
The InChIKey is KTNSNOMVNJCIOR-VSLDECCYSA-N. The full InChI is InChI=1S/C18H22N2O2.C17H17F3N2O2.C17H17F3N2O.C16H17ClN2O/c1-12-9-15(22-4)6-7-16(12)17-8-5-14(11-20-17)10-18(19-3)13(2)21;1-11(23)16(21-2)9-12-3-8-15(22-10-12)13-4-6-14(7-5-13)24-17(18,19)20;1-11(23)16(21-2)8-12-6-7-15(22-10-12)13-4-3-5-14(9-13)17(18,19)20;1-11(20)16(18-2)9-12-7-8-15(19-10-12)13-5-3-4-6-14(13)17/h5-9,11,18-19H,10H2,1-4H3;3-8,10,16,21H,9H2,1-2H3;3-7,9-10,16,21H,8H2,1-2H3;3-8,10,16,18H,9H2,1-2H3/t18-;3*16-/m0000/s1.
What are the key properties of (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one?
(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one has a molecular weight of 1247.82 g/mol, XLogP of 12.76, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one is sourced from PubChem (CID 159236521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).