1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea

C15H17N3O2 — CID 769331

IUPAC1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-20-13-9-7-12(8-10-13)17-15(19)18-14-6-4-5-11(2)16-14/h4-10H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKHZQWFYIRKCUSU-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea

1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 769331) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID769331
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-20-13-9-7-12(8-10-13)17-15(19)18-14-6-4-5-11(2)16-14/h4-10H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKHZQWFYIRKCUSU-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-ethoxypyridin-2-yl)acetamide
CID 824661
1-(2,4-Dimethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769338
ethyl N-[5-amino-3-[(4-methoxy-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 320742
1-(3-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769376
(E)-2-cyano-N-(6-methylpyridin-2-yl)-3-(2-propoxyphenyl)prop-2-enamide
CID 1587838
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 2730951
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
1-(4-Ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6465574
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
(4-Ethoxyphenyl){6-[(4-ethoxyphenyl)amino]-4-methylpyrimidin-2-yl}amine
CID 1068699
3-[(E)-(4-methoxyphenyl)azo]pyridine-2,6-diamine
CID 105268

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea (CID 769331) is 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea is CCOc1ccc(NC(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is KHZQWFYIRKCUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-13-9-7-12(8-10-13)17-15(19)18-14-6-4-5-11(2)16-14/h4-10H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 769331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).