1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea

C20H21N3O2 — CID 86984541

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea
SMILESCOc1ccc(CNC(=O)NCCc2ccc3ccccc3c2)cn1
InChIInChI=1S/C20H21N3O2/c1-25-19-9-7-16(13-22-19)14-23-20(24)21-11-10-15-6-8-17-4-2-3-5-18(17)12-15/h2-9,12-13H,10-11,14H2,1H3,(H2,21,23,24)
InChIKeyPRLLZUPRQGEZFE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.29
Rot. Bonds6

About 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea

1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea (PubChem CID 86984541) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea
PubChem CID86984541
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea
SMILESCOc1ccc(CNC(=O)NCCc2ccc3ccccc3c2)cn1
InChIInChI=1S/C20H21N3O2/c1-25-19-9-7-16(13-22-19)14-23-20(24)21-11-10-15-6-8-17-4-2-3-5-18(17)12-15/h2-9,12-13H,10-11,14H2,1H3,(H2,21,23,24)
InChIKeyPRLLZUPRQGEZFE-UHFFFAOYSA-N
XLogP3.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-[2-(3-chlorophenyl)ethyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111357844
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea (CID 86984541) is 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea is COc1ccc(CNC(=O)NCCc2ccc3ccccc3c2)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea?
The InChIKey is PRLLZUPRQGEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-19-9-7-16(13-22-19)14-23-20(24)21-11-10-15-6-8-17-4-2-3-5-18(17)12-15/h2-9,12-13H,10-11,14H2,1H3,(H2,21,23,24).
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea?
1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-3-(2-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 86984541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).