4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate

C54H52F6N8O8 — CID 159505726

IUPAC4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CNC(=O)OC)cc(C(F)(F)F)c2)CC3)ccn1
InChIInChI=1S/C28H27F3N4O5.C26H25F3N4O3/c1-32-26(37)24-14-23(7-8-33-24)40-22-6-5-17-3-4-18(11-19(17)12-22)25(36)35-21-10-16(15-34-27(38)39-2)9-20(13-21)28(29,30)31;1-31-25(35)23-13-22(6-7-32-23)36-21-5-4-16-2-3-17(10-18(16)11-21)24(34)33-20-9-15(14-30)8-19(12-20)26(27,28)29/h5-10,12-14,18H,3-4,11,15H2,1-2H3,(H,32,37)(H,34,38)(H,35,36);4-9,11-13,17H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34)
InChIKeyLZYPQWSVELPKJX-UHFFFAOYSA-N
MW1055.05 g/mol
LogP9.31
Rot. Bonds13

About 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate

4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 159505726) has the molecular formula C54H52F6N8O8 and a molecular weight of 1055.05 g/mol. Its IUPAC name is 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID159505726
Molecular FormulaC54H52F6N8O8
Molecular Weight1055.05 g/mol
Exact Mass1054.38
IUPAC Name4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CNC(=O)OC)cc(C(F)(F)F)c2)CC3)ccn1
InChIInChI=1S/C28H27F3N4O5.C26H25F3N4O3/c1-32-26(37)24-14-23(7-8-33-24)40-22-6-5-17-3-4-18(11-19(17)12-22)25(36)35-21-10-16(15-34-27(38)39-2)9-20(13-21)28(29,30)31;1-31-25(35)23-13-22(6-7-32-23)36-21-5-4-16-2-3-17(10-18(16)11-21)24(34)33-20-9-15(14-30)8-19(12-20)26(27,28)29/h5-10,12-14,18H,3-4,11,15H2,1-2H3,(H,32,37)(H,34,38)(H,35,36);4-9,11-13,17H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34)
InChIKeyLZYPQWSVELPKJX-UHFFFAOYSA-N
XLogP9.31
TPSA224.99 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001055.05
LogP ≤ 59.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-4-{[7-({[4-Chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585267
4-{[7-({[4-(Aminomethyl)-3-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-Nmethylpyridine-2-carboxamide
CID 23585318
4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585320
Butan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022575
Ethyl 6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022576
Methyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022577
Propan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022580
Ethyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022595
N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214128
(S)-N-(1-(pyridin-2-yl)ethyl)-5-(4-(trifluoromethyl)phenoxy)-2-naphthamide
CID 155214253
1-[[2-Fluoro-6-methoxy-4-[2-methyl-3-[2-methyl-3-(pyridine-2-carbonylamino)phenyl]phenyl]phenyl]methyl]piperidine-4-carboxylic acid
CID 155379445
Phenyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 137650576

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate (CID 159505726) is 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate is CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CNC(=O)OC)cc(C(F)(F)F)c2)CC3)ccn1.
What is the InChIKey of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is LZYPQWSVELPKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O5.C26H25F3N4O3/c1-32-26(37)24-14-23(7-8-33-24)40-22-6-5-17-3-4-18(11-19(17)12-22)25(36)35-21-10-16(15-34-27(38)39-2)9-20(13-21)28(29,30)31;1-31-25(35)23-13-22(6-7-32-23)36-21-5-4-16-2-3-17(10-18(16)11-21)24(34)33-20-9-15(14-30)8-19(12-20)26(27,28)29/h5-10,12-14,18H,3-4,11,15H2,1-2H3,(H,32,37)(H,34,38)(H,35,36);4-9,11-13,17H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34).
What are the key properties of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate?
4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 1055.05 g/mol, XLogP of 9.31, 13 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 159505726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).