2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine

C106H122F3N9O5 — CID 159834075

IUPAC2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1cc(C(C)C)ccn1.Cc1c(C(C)C)ccnc1-c1cccc(C(=O)O)c1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1
InChIInChI=1S/C17H20N2O.C17H20N2.C16H17NO2.2C16H19NO.C15H17N.C9H10F3N/c1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-10(2)14-7-8-17-15(11(14)3)12-5-4-6-13(9-12)16(18)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)13-8-9-17-15(10-13)11-14-6-4-5-7-16(14)18-3;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13;1-6(2)7-3-4-13-8(5-7)9(10,11)12/h5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;4-10H,1-3H3,(H,18,19);4-9,11,18H,10H2,1-3H3;4-10,12H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;3-6H,1-2H3
InChIKeyNNVHCQAKHOSQIF-UHFFFAOYSA-N
MW1659.19 g/mol
LogP26.03
Rot. Bonds20

About 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine

2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159834075) has the molecular formula C106H122F3N9O5 and a molecular weight of 1659.19 g/mol. Its IUPAC name is 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID159834075
Molecular FormulaC106H122F3N9O5
Molecular Weight1659.19 g/mol
Exact Mass1657.95
IUPAC Name2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1cc(C(C)C)ccn1.Cc1c(C(C)C)ccnc1-c1cccc(C(=O)O)c1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1
InChIInChI=1S/C17H20N2O.C17H20N2.C16H17NO2.2C16H19NO.C15H17N.C9H10F3N/c1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-10(2)14-7-8-17-15(11(14)3)12-5-4-6-13(9-12)16(18)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)13-8-9-17-15(10-13)11-14-6-4-5-7-16(14)18-3;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13;1-6(2)7-3-4-13-8(5-7)9(10,11)12/h5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;4-10H,1-3H3,(H,18,19);4-9,11,18H,10H2,1-3H3;4-10,12H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;3-6H,1-2H3
InChIKeyNNVHCQAKHOSQIF-UHFFFAOYSA-N
XLogP26.03
TPSA212.11 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.19
LogP ≤ 526.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-(2-pyridin-4-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 21987176
2-[3-[[[2-Fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]pyridine-4-carboxylic acid
CID 59218950
3-[[4-[(4-Tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoic acid;methyl 3-[[4-[(4-tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoate
CID 87417609
Tert-butyl 3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoate;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoic acid
CID 87417688
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-[[6-[3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]-4-hydroxyphenyl]-5-(hydroxymethyl)-2-pyridinyl]-hydroxymethyl]-3-pyridinyl]-2-hydroxybenzamide
CID 137152204
8-Methoxy-5-piperidin-4-yl-6-[8-piperidin-4-yl-5-(trifluoromethyl)isoquinolin-3-yl]isoquinoline-3-carboxylic acid
CID 138572968
(Z)-4-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenoxy]but-2-enoic acid;ethane;ethyl (Z)-4-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenoxy]but-2-enoate
CID 144811980
4-[5-[4-[(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-2-iminobutyl]-6-(trifluoromethyl)pyridin-3-yl]-6-methoxypyridin-3-yl]-3-methylbenzoic acid
CID 156510811
2-Methyl-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid
CID 157159584
1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3,5-dimethylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;methane
CID 157248733
4-[5-[2-[(3S,3aR,6S)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;4-[5-[2-[(3R,3aS,6R)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;4-[3-[4-[(3S,3aR,6S)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-6-(trifluoromethyl)-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[3-[4-[(3R,3aS,6R)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-6-(trifluoromethyl)-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 157248920
3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157433681

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159834075) is 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine is C=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1cc(C(C)C)ccn1.Cc1c(C(C)C)ccnc1-c1cccc(C(=O)O)c1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1.
What is the InChIKey of 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is NNVHCQAKHOSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C17H20N2.C16H17NO2.2C16H19NO.C15H17N.C9H10F3N/c1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-10(2)14-7-8-17-15(11(14)3)12-5-4-6-13(9-12)16(18)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)13-8-9-17-15(10-13)11-14-6-4-5-7-16(14)18-3;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13;1-6(2)7-3-4-13-8(5-7)9(10,11)12/h5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;4-10H,1-3H3,(H,18,19);4-9,11,18H,10H2,1-3H3;4-10,12H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine?
2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1659.19 g/mol, XLogP of 26.03, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159834075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).