4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

C24H18ClN3O3 — CID 24823896

IUPAC4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1
InChIInChI=1S/C24H18ClN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29)
InChIKeyVGVTZKAMZZDXCR-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.29
Rot. Bonds5

About 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 24823896) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID24823896
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1
InChIInChI=1S/C24H18ClN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29)
InChIKeyVGVTZKAMZZDXCR-UHFFFAOYSA-N
XLogP5.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Biarylether amide quinoline, 4i
CID 44472997
3-[3-(8-Chloro-3-methylquinolin-4-yl)phenoxy]-N-ethylbenzamide
CID 44472998
Biarylether amide quinoline, 4k
CID 44472999
Biarylether amide quinoline, 4l
CID 44473000
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824184
4-[3-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 11503895
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
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 24822265
N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 24822266
n-(4-Chlorophenyl)-6-(4-quinolinyloxy)-1-naphthalenecarboxamide
CID 24822267

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (CID 24823896) is 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1.
What is the InChIKey of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is VGVTZKAMZZDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29).
What are the key properties of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 24823896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).