1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea

C20H19N3O2 — CID 2998034

IUPAC1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H19N3O2/c1-25-18-12-6-5-11-17(18)22-20(24)23(19-13-7-8-14-21-19)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyRZLFPIFZSOGVCH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.33
Rot. Bonds5

About 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea

1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea (PubChem CID 2998034) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea
PubChem CID2998034
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H19N3O2/c1-25-18-12-6-5-11-17(18)22-20(24)23(19-13-7-8-14-21-19)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyRZLFPIFZSOGVCH-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Fcway
CID 10048892
2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate
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Mefway F-18
CID 11963740
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
[11C]Jway
CID 11834378
Vuf5574
CID 4046493
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea (CID 2998034) is 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea is COc1ccccc1NC(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea?
The InChIKey is RZLFPIFZSOGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-18-12-6-5-11-17(18)22-20(24)23(19-13-7-8-14-21-19)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea?
1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea has a molecular weight of 333.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea is sourced from PubChem (CID 2998034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).