3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea

C20H19N3O3 — CID 151817629

IUPAC3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea
SMILESCOc1ccc(NC(=O)N(c2ccccc2)c2ccncc2)c(OC)c1
InChIInChI=1S/C20H19N3O3/c1-25-17-8-9-18(19(14-17)26-2)22-20(24)23(15-6-4-3-5-7-15)16-10-12-21-13-11-16/h3-14H,1-2H3,(H,22,24)
InChIKeySBYHGTKVWDVNQH-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.47
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea

3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea (PubChem CID 151817629) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea
PubChem CID151817629
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea
SMILESCOc1ccc(NC(=O)N(c2ccccc2)c2ccncc2)c(OC)c1
InChIInChI=1S/C20H19N3O3/c1-25-17-8-9-18(19(14-17)26-2)22-20(24)23(15-6-4-3-5-7-15)16-10-12-21-13-11-16/h3-14H,1-2H3,(H,22,24)
InChIKeySBYHGTKVWDVNQH-UHFFFAOYSA-N
XLogP4.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 3376668
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
CID 44998153
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea (CID 151817629) is 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea is COc1ccc(NC(=O)N(c2ccccc2)c2ccncc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea?
The InChIKey is SBYHGTKVWDVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-8-9-18(19(14-17)26-2)22-20(24)23(15-6-4-3-5-7-15)16-10-12-21-13-11-16/h3-14H,1-2H3,(H,22,24).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea?
3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea has a molecular weight of 349.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea is sourced from PubChem (CID 151817629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).