deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline

C115H106ClF12N15O5 — CID 161253835

IUPACdeuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
SMILESC.C1COCCN1.Cc1ncccc1C(=O)O.FC(F)(F)c1cc(-c2cc3ncccc3c(Cl)n2)ccc1N(Cc1ccccc1)Cc1ccccc1.FC(F)(F)c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)ccc1N(Cc1ccccc1)Cc1ccccc1.N#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1C(F)(F)F.[H][2H]
InChIInChI=1S/C33H29F3N4O.C29H21ClF3N3.C22H17F3N2.C19H17F3N4O.C7H7NO2.C4H9NO.CH4.H2/c34-33(35,36)28-20-26(29-21-30-27(12-7-15-37-30)32(38-29)39-16-18-41-19-17-39)13-14-31(28)40(22-24-8-3-1-4-9-24)23-25-10-5-2-6-11-25;30-28-23-12-7-15-34-26(23)17-25(35-28)22-13-14-27(24(16-22)29(31,32)33)36(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21;23-22(24,25)20-13-19(14-26)11-12-21(20)27(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;20-19(21,22)14-10-12(3-4-15(14)23)16-11-17-13(2-1-5-24-17)18(25-16)26-6-8-27-9-7-26;1-5-6(7(9)10)3-2-4-8-5;1-3-6-4-2-5-1;;/h1-15,20-21H,16-19,22-23H2;1-17H,18-19H2;1-13H,15-16H2;1-5,10-11H,6-9,23H2;2-4H,1H3,(H,9,10);5H,1-4H2;1H4;1H/i;;;;;;;1+1
InChIKeyVBPZNAXUXQJFMY-MXGYIUITSA-N
MW2042.65 g/mol
LogP26.63
Rot. Bonds21

About deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline

deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline (PubChem CID 161253835) has the molecular formula C115H106ClF12N15O5 and a molecular weight of 2042.65 g/mol. Its IUPAC name is deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Namedeuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
PubChem CID161253835
Molecular FormulaC115H106ClF12N15O5
Molecular Weight2042.65 g/mol
Exact Mass2040.81
IUPAC Namedeuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
SMILESC.C1COCCN1.Cc1ncccc1C(=O)O.FC(F)(F)c1cc(-c2cc3ncccc3c(Cl)n2)ccc1N(Cc1ccccc1)Cc1ccccc1.FC(F)(F)c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)ccc1N(Cc1ccccc1)Cc1ccccc1.N#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1C(F)(F)F.[H][2H]
InChIInChI=1S/C33H29F3N4O.C29H21ClF3N3.C22H17F3N2.C19H17F3N4O.C7H7NO2.C4H9NO.CH4.H2/c34-33(35,36)28-20-26(29-21-30-27(12-7-15-37-30)32(38-29)39-16-18-41-19-17-39)13-14-31(28)40(22-24-8-3-1-4-9-24)23-25-10-5-2-6-11-25;30-28-23-12-7-15-34-26(23)17-25(35-28)22-13-14-27(24(16-22)29(31,32)33)36(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21;23-22(24,25)20-13-19(14-26)11-12-21(20)27(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;20-19(21,22)14-10-12(3-4-15(14)23)16-11-17-13(2-1-5-24-17)18(25-16)26-6-8-27-9-7-26;1-5-6(7(9)10)3-2-4-8-5;1-3-6-4-2-5-1;;/h1-15,20-21H,16-19,22-23H2;1-17H,18-19H2;1-13H,15-16H2;1-5,10-11H,6-9,23H2;2-4H,1H3,(H,9,10);5H,1-4H2;1H4;1H/i;;;;;;;1+1
InChIKeyVBPZNAXUXQJFMY-MXGYIUITSA-N
XLogP26.63
TPSA233.26 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.65
LogP ≤ 526.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline with MolForge

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Related Compounds

4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyridine-3-carboxylate
CID 157831341
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 157868186
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 158326638
CID 157154374
CID 157154374
4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 157266394
5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157370142
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylic acid;deuterio(fluoro)methane;hydrochloride
CID 157514684
5-(aminomethyl)-6-methyl-N-(2-phenylmethoxyethyl)pyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[2-methyl-6-(2-phenylmethoxyethylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157779352
5-(Aminomethyl)-6-methylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxylate;hydrochloride
CID 157873777
3-chloro-4-(dibenzylamino)benzonitrile;2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-2-chloro-4-(5-chloro-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine
CID 158339846
4-aminobenzoic acid;2,4-dichloroquinazoline;2,6-dimethylaniline;N-(2,6-dimethylphenyl)-4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzamide;morpholine;4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzoic acid
CID 158889754
CID 159227178
CID 159227178

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline (CID 161253835) is deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline is C.C1COCCN1.Cc1ncccc1C(=O)O.FC(F)(F)c1cc(-c2cc3ncccc3c(Cl)n2)ccc1N(Cc1ccccc1)Cc1ccccc1.FC(F)(F)c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)ccc1N(Cc1ccccc1)Cc1ccccc1.N#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1C(F)(F)F.[H][2H].
What is the InChIKey of deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
The InChIKey is VBPZNAXUXQJFMY-MXGYIUITSA-N. The full InChI is InChI=1S/C33H29F3N4O.C29H21ClF3N3.C22H17F3N2.C19H17F3N4O.C7H7NO2.C4H9NO.CH4.H2/c34-33(35,36)28-20-26(29-21-30-27(12-7-15-37-30)32(38-29)39-16-18-41-19-17-39)13-14-31(28)40(22-24-8-3-1-4-9-24)23-25-10-5-2-6-11-25;30-28-23-12-7-15-34-26(23)17-25(35-28)22-13-14-27(24(16-22)29(31,32)33)36(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21;23-22(24,25)20-13-19(14-26)11-12-21(20)27(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;20-19(21,22)14-10-12(3-4-15(14)23)16-11-17-13(2-1-5-24-17)18(25-16)26-6-8-27-9-7-26;1-5-6(7(9)10)3-2-4-8-5;1-3-6-4-2-5-1;;/h1-15,20-21H,16-19,22-23H2;1-17H,18-19H2;1-13H,15-16H2;1-5,10-11H,6-9,23H2;2-4H,1H3,(H,9,10);5H,1-4H2;1H4;1H/i;;;;;;;1+1.
What are the key properties of deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline has a molecular weight of 2042.65 g/mol, XLogP of 26.63, 21 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 161253835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).