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

C20H19N3O2 — CID 2813392

IUPAC1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-6-5-9-19(21-15)23-20(24)22-17-10-12-18(13-11-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,22,23,24)
InChIKeyHCQQSEUFENMOFQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.61
Rot. Bonds5

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

1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2813392) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2813392
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-6-5-9-19(21-15)23-20(24)22-17-10-12-18(13-11-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,22,23,24)
InChIKeyHCQQSEUFENMOFQ-UHFFFAOYSA-N
XLogP4.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
CID 2952997
CID 2952997
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-Methylpyridin-2-Amine
CID 71627413
6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
1-(4-Ethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769331
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368
(4-Ethoxy-phenyl)-(4-methyl-quinolin-2-yl)-amine
CID 747022
(E)-2-cyano-N-(6-methylpyridin-2-yl)-3-(2-propoxyphenyl)prop-2-enamide
CID 1587838
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 3213295
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 5548035

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea (CID 2813392) is 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is HCQQSEUFENMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-6-5-9-19(21-15)23-20(24)22-17-10-12-18(13-11-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 333.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2813392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).