2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide

C27H27N3O3 — CID 145054534

IUPAC2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2cc(Oc3ccc(C)c4ccccc34)ccn2)cc1OC
InChIInChI=1S/C27H27N3O3/c1-4-14-29-27(31)23-11-10-19(16-25(23)32-3)30-26-17-20(13-15-28-26)33-24-12-9-18(2)21-7-5-6-8-22(21)24/h5-13,15-17H,4,14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyLWNVFHRBFWJJMA-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.23
Rot. Bonds8

About 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide

2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide (PubChem CID 145054534) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide
PubChem CID145054534
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2cc(Oc3ccc(C)c4ccccc34)ccn2)cc1OC
InChIInChI=1S/C27H27N3O3/c1-4-14-29-27(31)23-11-10-19(16-25(23)32-3)30-26-17-20(13-15-28-26)33-24-12-9-18(2)21-7-5-6-8-22(21)24/h5-13,15-17H,4,14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyLWNVFHRBFWJJMA-UHFFFAOYSA-N
XLogP6.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]amino]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 118168324
4-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxybenzoyl]amino]ethylamino]-4-oxobutanoic acid
CID 121255402
4-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[3-(1-methylpiperidin-4-yl)propyl]benzamide
CID 121266102
4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 121255568
4-[[4-[4-[[3-tert-butyl-5-(methanesulfonamido)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 121255274
3-[3-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxybenzoyl]amino]propoxy]propanoic acid
CID 121255589
4-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 163793452
4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]benzamide
CID 121255406
chloro 7-[[4-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylsulfamoyl)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxybenzoyl]amino]heptanoate
CID 154700215
4-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 145054558
4-[[4-[4-[[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 141485536
4-[[4-[4-[5-tert-butyl-N-carbamoyl-3-(methanesulfonamido)-2-methoxyanilino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 121255567

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide?
The IUPAC name of 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide (CID 145054534) is 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2cc(Oc3ccc(C)c4ccccc34)ccn2)cc1OC.
What is the InChIKey of 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide?
The InChIKey is LWNVFHRBFWJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-4-14-29-27(31)23-11-10-19(16-25(23)32-3)30-26-17-20(13-15-28-26)33-24-12-9-18(2)21-7-5-6-8-22(21)24/h5-13,15-17H,4,14H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide?
2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide has a molecular weight of 441.53 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[4-(4-methylnaphthalen-1-yl)oxy-2-pyridinyl]amino]-N-propylbenzamide is sourced from PubChem (CID 145054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).