1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea

C16H19N3O3 — CID 2957806

IUPAC1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-11(12-6-8-17-9-7-12)18-16(20)19-13-4-5-14(21-2)15(10-13)22-3/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyKKKDEIYPBDDQSL-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.98
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea

1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 2957806) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID2957806
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-11(12-6-8-17-9-7-12)18-16(20)19-13-4-5-14(21-2)15(10-13)22-3/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyKKKDEIYPBDDQSL-UHFFFAOYSA-N
XLogP2.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 961305
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(1,3-Benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
CID 971608
N-(3-methoxyphenyl)-N'-3-pyridinylurea
CID 1297960
1-(3,4-Dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)thiourea
CID 2956389
N-[2-(dimethylamino)ethyl]-N'-(3-methoxyphenyl)-N-(1-pyridin-3-ylethyl)thiourea
CID 3387571
N-1,3-benzodioxol-5-yl-N'-(2-pyridinylmethyl)urea
CID 971167
Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
CID 1087209
1-(Pyridin-4-ylmethyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330745
1-(4-Phenoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 52358357

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea (CID 2957806) is 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea is COc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is KKKDEIYPBDDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(12-6-8-17-9-7-12)18-16(20)19-13-4-5-14(21-2)15(10-13)22-3/h4-11H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea?
1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 301.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 2957806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).