1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea

C15H17N3O2 — CID 47034851

IUPAC1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOCc1ccccc1NC(=O)NCc1ccncc1
InChIInChI=1S/C15H17N3O2/c1-20-11-13-4-2-3-5-14(13)18-15(19)17-10-12-6-8-16-9-7-12/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyOWRAIZMNJLTHTM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.55
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea

1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 47034851) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID47034851
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOCc1ccccc1NC(=O)NCc1ccncc1
InChIInChI=1S/C15H17N3O2/c1-20-11-13-4-2-3-5-14(13)18-15(19)17-10-12-6-8-16-9-7-12/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyOWRAIZMNJLTHTM-UHFFFAOYSA-N
XLogP2.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95316666
1-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 75514282
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 122146938
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea (CID 47034851) is 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea is COCc1ccccc1NC(=O)NCc1ccncc1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is OWRAIZMNJLTHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-11-13-4-2-3-5-14(13)18-15(19)17-10-12-6-8-16-9-7-12/h2-9H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 47034851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).