1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea

C27H22N6O2 — CID 58396506

IUPAC1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea
SMILESCCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C27H22N6O2/c1-2-24-29-17-30-25(33-24)21-13-8-16-28-26(21)35-23-15-14-22(19-11-6-7-12-20(19)23)32-27(34)31-18-9-4-3-5-10-18/h3-17H,2H2,1H3,(H2,31,32,34)
InChIKeyYRFYRZDOPHWDGS-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.09
Rot. Bonds6

About 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea (PubChem CID 58396506) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea
PubChem CID58396506
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC Name1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea
SMILESCCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C27H22N6O2/c1-2-24-29-17-30-25(33-24)21-13-8-16-28-26(21)35-23-15-14-22(19-11-6-7-12-20(19)23)32-27(34)31-18-9-4-3-5-10-18/h3-17H,2H2,1H3,(H2,31,32,34)
InChIKeyYRFYRZDOPHWDGS-UHFFFAOYSA-N
XLogP6.09
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea with MolForge

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Related Compounds

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea
CID 58396855
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea
CID 58397000
1-[5-chloro-2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]urea
CID 58396767
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea
CID 58396746
1-(3-ethylphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58396292
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58397103
1-ethyl-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46890315
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
CID 58397003
1-tert-butyl-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46890314
[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate
CID 71393726
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 58396410
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide
CID 58396624

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea?
The IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea (CID 58396506) is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea?
The canonical SMILES for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea is CCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)c3ccccc23)n1.
What is the InChIKey of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea?
The InChIKey is YRFYRZDOPHWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c1-2-24-29-17-30-25(33-24)21-13-8-16-28-26(21)35-23-15-14-22(19-11-6-7-12-20(19)23)32-27(34)31-18-9-4-3-5-10-18/h3-17H,2H2,1H3,(H2,31,32,34).
What are the key properties of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea?
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea has a molecular weight of 462.51 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea is sourced from PubChem (CID 58396506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).