7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C25H21ClF3N3O3 — CID 23585028

IUPAC7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC3)ccn1
InChIInChI=1S/C25H21ClF3N3O3/c1-14(33)31-23-13-20(8-9-30-23)35-19-6-4-15-2-3-16(10-17(15)11-19)24(34)32-18-5-7-22(26)21(12-18)25(27,28)29/h4-9,11-13,16H,2-3,10H2,1H3,(H,32,34)(H,30,31,33)
InChIKeyQFZWRNZSDYKYLG-UHFFFAOYSA-N
MW503.91 g/mol
LogP6.25
Rot. Bonds5

About 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 23585028) has the molecular formula C25H21ClF3N3O3 and a molecular weight of 503.91 g/mol. Its IUPAC name is 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID23585028
Molecular FormulaC25H21ClF3N3O3
Molecular Weight503.91 g/mol
Exact Mass503.12
IUPAC Name7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC3)ccn1
InChIInChI=1S/C25H21ClF3N3O3/c1-14(33)31-23-13-20(8-9-30-23)35-19-6-4-15-2-3-16(10-17(15)11-19)24(34)32-18-5-7-22(26)21(12-18)25(27,28)29/h4-9,11-13,16H,2-3,10H2,1H3,(H,32,34)(H,30,31,33)
InChIKeyQFZWRNZSDYKYLG-UHFFFAOYSA-N
XLogP6.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.91
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 162178872
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-[(propan-2-ylamino)methyl]-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143482565
(2S)-7-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721576
7-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721581
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
(2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355181
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58055283
methyl N-[4-[[(7S)-7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]carbamate
CID 123961872
tert-butyl-[[3-[[7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 66721327
7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721701
7-[[2-[(2-methoxyacetyl)amino]-4-pyridinyl]oxy]-N-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721728
N-[4-[[7-[1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)anilino]-2-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]acetamide
CID 143482527

Frequently Asked Questions

What is the IUPAC name of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 23585028) is 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC3)ccn1.
What is the InChIKey of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QFZWRNZSDYKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O3/c1-14(33)31-23-13-20(8-9-30-23)35-19-6-4-15-2-3-16(10-17(15)11-19)24(34)32-18-5-7-22(26)21(12-18)25(27,28)29/h4-9,11-13,16H,2-3,10H2,1H3,(H,32,34)(H,30,31,33).
What are the key properties of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 503.91 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 23585028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).