N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

C29H22F3N3O4 — CID 58263567

IUPACN-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
SMILESC=CC(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F
InChIInChI=1S/C29H22F3N3O4/c1-3-27(37)35-23-11-10-17(14-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2/h3-14,16H,1,15H2,2H3,(H,33,38)(H,35,37)
InChIKeyOZOUPOSVUSYKQE-UHFFFAOYSA-N
MW533.51 g/mol
LogP5.96
Rot. Bonds8

About N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (PubChem CID 58263567) has the molecular formula C29H22F3N3O4 and a molecular weight of 533.51 g/mol. Its IUPAC name is N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
PubChem CID58263567
Molecular FormulaC29H22F3N3O4
Molecular Weight533.51 g/mol
Exact Mass533.16
IUPAC NameN-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
SMILESC=CC(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F
InChIInChI=1S/C29H22F3N3O4/c1-3-27(37)35-23-11-10-17(14-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2/h3-14,16H,1,15H2,2H3,(H,33,38)(H,35,37)
InChIKeyOZOUPOSVUSYKQE-UHFFFAOYSA-N
XLogP5.96
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.51
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide 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

Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
CID 52944070
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
4-(5-((4-chlorophenyl)carbamoyl)naphthalen-2-yloxy)-N-methylpicolinamide
CID 24823896
N-((R)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxo-3-(2-(trifluoromethoxy)phenyl)propan-2-yl)picolinamide
CID 24875059
N-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide
CID 25230662
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 44511358
N-[4-methyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127043947
Butan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022575

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (CID 58263567) is N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is C=CC(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.
What is the InChIKey of N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The InChIKey is OZOUPOSVUSYKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N3O4/c1-3-27(37)35-23-11-10-17(14-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2/h3-14,16H,1,15H2,2H3,(H,33,38)(H,35,37).
What are the key properties of N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide has a molecular weight of 533.51 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 58263567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).