[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid

C24H21N3O5 — CID 122653084

IUPAC[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
SMILESCOc1cc(Nc2cc(Oc3ccc(NC(=O)O)c4ccccc34)ccn2)cc(OC)c1
InChIInChI=1S/C24H21N3O5/c1-30-17-11-15(12-18(13-17)31-2)26-23-14-16(9-10-25-23)32-22-8-7-21(27-24(28)29)19-5-3-4-6-20(19)22/h3-14,27H,1-2H3,(H,25,26)(H,28,29)
InChIKeyYPKJDPJRCLCSIL-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.88
Rot. Bonds7

About [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid

[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid (PubChem CID 122653084) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
PubChem CID122653084
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
SMILESCOc1cc(Nc2cc(Oc3ccc(NC(=O)O)c4ccccc34)ccn2)cc(OC)c1
InChIInChI=1S/C24H21N3O5/c1-30-17-11-15(12-18(13-17)31-2)26-23-14-16(9-10-25-23)32-22-8-7-21(27-24(28)29)19-5-3-4-6-20(19)22/h3-14,27H,1-2H3,(H,25,26)(H,28,29)
InChIKeyYPKJDPJRCLCSIL-UHFFFAOYSA-N
XLogP5.88
TPSA101.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90159624
tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750477
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(3-methoxy-5-methylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 145380097
[4-[[2-[3-ethynyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90422157
1-(3-tert-butyl-5-dimethylphosphorylphenyl)-3-[4-[[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 118168383
2-[2-[2-[3-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxyphenoxy]ethoxy]ethoxy]acetic acid
CID 167097077
2-[2-[2-[3-[[4-[4-[(5-tert-butyl-3-ethylsulfonyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxyphenoxy]ethoxy]ethoxy]acetic acid
CID 131984882
[4-[[2-[3-cyano-5-(2-morpholin-4-ylethoxy)anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 118168581
2-[2-[3-methoxy-5-[[4-[4-[[2-methoxy-5-(2-methylbutan-2-yl)-3-(methylsulfanylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]phenoxy]ethoxy]acetic acid
CID 167097065
2-[3-[[4-[[2-(3-aminosulfanyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamoylamino]-5-tert-butyl-2-methoxyphenyl]acetamide
CID 144866950
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-[3-[2-(2-cyclopropyloxyethoxy)ethoxy]-5-methoxyanilino]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 175736986

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
The IUPAC name of [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid (CID 122653084) is [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid.
What is the SMILES notation for [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
The canonical SMILES for [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid is COc1cc(Nc2cc(Oc3ccc(NC(=O)O)c4ccccc34)ccn2)cc(OC)c1.
What is the InChIKey of [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
The InChIKey is YPKJDPJRCLCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-30-17-11-15(12-18(13-17)31-2)26-23-14-16(9-10-25-23)32-22-8-7-21(27-24(28)29)19-5-3-4-6-20(19)22/h3-14,27H,1-2H3,(H,25,26)(H,28,29).
What are the key properties of [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid?
[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid has a molecular weight of 431.45 g/mol, XLogP of 5.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid is sourced from PubChem (CID 122653084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).