1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea

C15H17N3O2 — CID 3797502

IUPAC1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O2/c1-11-5-6-14(20-2)13(8-11)18-15(19)17-10-12-4-3-7-16-9-12/h3-9H,10H2,1-2H3,(H2,17,18,19)
InChIKeyPXPYISQUKBECFK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea

1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 3797502) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID3797502
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O2/c1-11-5-6-14(20-2)13(8-11)18-15(19)17-10-12-4-3-7-16-9-12/h3-9H,10H2,1-2H3,(H2,17,18,19)
InChIKeyPXPYISQUKBECFK-UHFFFAOYSA-N
XLogP2.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
1-N'-(2-methoxy-5-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976865
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
(Z)-2-cyano-3-(2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837375
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
2-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylpropanamide
CID 110296494
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(2-methoxy-5-methylphenyl)-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525115
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50830130

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 3797502) is 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea is COc1ccc(C)cc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is PXPYISQUKBECFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-6-14(20-2)13(8-11)18-15(19)17-10-12-4-3-7-16-9-12/h3-9H,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 3797502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).