1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea

C14H13N3O3 — CID 6465706

IUPAC1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-4-13(15-9)17-14(18)16-10-5-6-11-12(7-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKeyDDZIXOYVCDSJBM-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.76
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea

1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 6465706) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID6465706
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-4-13(15-9)17-14(18)16-10-5-6-11-12(7-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKeyDDZIXOYVCDSJBM-UHFFFAOYSA-N
XLogP2.76
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769376
N-Benzo[1,3]dioxol-5-yl-2-(4,6-diamino-pyrimidin-2-ylsulfanyl)-acetamide
CID 2627302
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
N-1,3-benzodioxol-5-yl-N'-(2-pyridinylmethyl)urea
CID 971167
4-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257091
N-(3,4-dimethoxyphenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea
CID 970818
1-(1,3-Benzodioxol-5-yl)-3-pyridin-3-ylurea
CID 970916
1-(1,3-Benzodioxol-5-yl)-3-(5-bromopyridin-2-yl)urea
CID 971442
N-1,3-benzodioxol-5-yl-N'-(5-methyl-2-pyridinyl)urea
CID 6464804
1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea
CID 6465583
1-(1,3-Benzodioxol-5-yl)-3-(4-methylpyridin-2-yl)urea
CID 6466443
1-(1,3-Benzodioxol-5-yl)-3-(4,6-dimethylpyridin-2-yl)urea
CID 6466515

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea (CID 6465706) is 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is DDZIXOYVCDSJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-3-2-4-13(15-9)17-14(18)16-10-5-6-11-12(7-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 271.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 6465706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).