1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea

C14H15N3O2 — CID 108892981

IUPAC1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
SMILESCc1ccc(OCNC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H15N3O2/c1-11-4-6-13(7-5-11)19-10-16-14(18)17-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyUCYIBLYNCCIHOC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.55
Rot. Bonds4

About 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea

1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea (PubChem CID 108892981) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
PubChem CID108892981
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
SMILESCc1ccc(OCNC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H15N3O2/c1-11-4-6-13(7-5-11)19-10-16-14(18)17-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyUCYIBLYNCCIHOC-UHFFFAOYSA-N
XLogP2.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1-(5-bromopyrimidin-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893138
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea (CID 108892981) is 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea is Cc1ccc(OCNC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea?
The InChIKey is UCYIBLYNCCIHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11-4-6-13(7-5-11)19-10-16-14(18)17-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea?
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea has a molecular weight of 257.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 108892981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).