7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen

C52H40F6N8O6 — CID 158635714

IUPAC7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen
SMILESCC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)cc3c2)ccn1.CC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1.[H][H]
InChIInChI=1S/C26H21F3N4O3.C26H17F3N4O3.H2/c2*1-15(34)32-24-13-22(8-9-31-24)36-21-7-5-16-2-3-17(10-19(16)11-21)25(35)33-20-6-4-18(14-30)23(12-20)26(27,28)29;/h2-13H,14,30H2,1H3,(H,33,35)(H,31,32,34);2-13H,1H3,(H,33,35)(H,31,32,34);1H
InChIKeyHZTBNTDXKGTBMA-UHFFFAOYSA-N
MW986.93 g/mol
LogP12.09
Rot. Bonds11

About 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen

7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen (PubChem CID 158635714) has the molecular formula C52H40F6N8O6 and a molecular weight of 986.93 g/mol. Its IUPAC name is 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen
PubChem CID158635714
Molecular FormulaC52H40F6N8O6
Molecular Weight986.93 g/mol
Exact Mass986.30
IUPAC Name7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen
SMILESCC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)cc3c2)ccn1.CC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1.[H][H]
InChIInChI=1S/C26H21F3N4O3.C26H17F3N4O3.H2/c2*1-15(34)32-24-13-22(8-9-31-24)36-21-7-5-16-2-3-17(10-19(16)11-21)25(35)33-20-6-4-18(14-30)23(12-20)26(27,28)29;/h2-13H,14,30H2,1H3,(H,33,35)(H,31,32,34);2-13H,1H3,(H,33,35)(H,31,32,34);1H
InChIKeyHZTBNTDXKGTBMA-UHFFFAOYSA-N
XLogP12.09
TPSA210.45 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.93
LogP ≤ 512.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

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CID 50992247
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CID 50937465
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
Nvp-baw2881
CID 16004702
Benzamide,3-[(dimethylamino)methyl]-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoroMethyl)-
CID 50990961
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-({2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51354885
(2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-({2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355181
(2R)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-({2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355182
7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-N-[3-[(isopropylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355459
3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl}-5-(trifluoromethyl)benzamide
CID 51355461

Frequently Asked Questions

What is the IUPAC name of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen?
The IUPAC name of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen (CID 158635714) is 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen?
The canonical SMILES for 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen is CC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)cc3c2)ccn1.CC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1.[H][H].
What is the InChIKey of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen?
The InChIKey is HZTBNTDXKGTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O3.C26H17F3N4O3.H2/c2*1-15(34)32-24-13-22(8-9-31-24)36-21-7-5-16-2-3-17(10-19(16)11-21)25(35)33-20-6-4-18(14-30)23(12-20)26(27,28)29;/h2-13H,14,30H2,1H3,(H,33,35)(H,31,32,34);2-13H,1H3,(H,33,35)(H,31,32,34);1H.
What are the key properties of 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen?
7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen has a molecular weight of 986.93 g/mol, XLogP of 12.09, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158635714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).