1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea

C15H17N3O3 — CID 971285

IUPAC1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-13-7-6-11(9-14(13)21-2)18-15(19)17-10-12-5-3-4-8-16-12/h3-9H,10H2,1-2H3,(H2,17,18,19)
InChIKeyFBGOSSPTTRDDAI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.42
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea

1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 971285) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID971285
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-13-7-6-11(9-14(13)21-2)18-15(19)17-10-12-5-3-4-8-16-12/h3-9H,10H2,1-2H3,(H2,17,18,19)
InChIKeyFBGOSSPTTRDDAI-UHFFFAOYSA-N
XLogP2.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
1-(1,2,3-benzothiadiazol-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 71583724
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
CID 24664385
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea (CID 971285) is 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea is COc1ccc(NC(=O)NCc2ccccn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is FBGOSSPTTRDDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-7-6-11(9-14(13)21-2)18-15(19)17-10-12-5-3-4-8-16-12/h3-9H,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 287.32 g/mol, XLogP of 2.42, 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-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 971285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).