1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea

C19H20N6O2 — CID 146632989

IUPAC1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea
SMILESCc1cccc(N(N)C(=O)NN)c1COc1cccc(-c2ccncc2)n1
InChIInChI=1S/C19H20N6O2/c1-13-4-2-6-17(25(21)19(26)24-20)15(13)12-27-18-7-3-5-16(23-18)14-8-10-22-11-9-14/h2-11H,12,20-21H2,1H3,(H,24,26)
InChIKeyOAIDGWFHLSIKBA-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.29
Rot. Bonds5

About 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea

1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea (PubChem CID 146632989) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea
PubChem CID146632989
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea
SMILESCc1cccc(N(N)C(=O)NN)c1COc1cccc(-c2ccncc2)n1
InChIInChI=1S/C19H20N6O2/c1-13-4-2-6-17(25(21)19(26)24-20)15(13)12-27-18-7-3-5-16(23-18)14-8-10-22-11-9-14/h2-11H,12,20-21H2,1H3,(H,24,26)
InChIKeyOAIDGWFHLSIKBA-UHFFFAOYSA-N
XLogP2.29
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]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-diamino-1-[2-[[6-(4-formylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]urea
CID 146633063
1,3-diamino-1-[3-methyl-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]oxymethyl]phenyl]urea
CID 144739209
1,3-diamino-1-[3-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]phenyl]urea;ethane
CID 144784494
1,3-diamino-1-[2-[[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]urea
CID 146633047
1,3-diamino-1-[2-[(6-chloropyrazin-2-yl)oxymethyl]-3-methylphenyl]urea
CID 146632197
1,3-diamino-1-[3-cyclopropyl-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]urea
CID 134548027
1,3-diamino-1-[3-methyl-2-[(1-thiophen-3-ylpyrazol-3-yl)oxymethyl]phenyl]urea
CID 144783523
1,3-diamino-1-[3-methyl-2-[[4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]urea
CID 144783503
1,3-diamino-1-[2-[[3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]urea
CID 146633001
1-methyl-1-[3-methyl-2-[(6-thiophen-3-yl-2-pyridinyl)oxymethyl]phenyl]hydrazine
CID 144739143
1,3-diamino-1-[3-fluoro-2-[(6-phenyl-2-pyridinyl)oxymethyl]phenyl]-3-methylurea
CID 146631802
1,3-diamino-1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenoxy]methyl]-3-methylphenyl]urea
CID 144772910

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea?
The IUPAC name of 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea (CID 146632989) is 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea.
What is the SMILES notation for 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea?
The canonical SMILES for 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea is Cc1cccc(N(N)C(=O)NN)c1COc1cccc(-c2ccncc2)n1.
What is the InChIKey of 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea?
The InChIKey is OAIDGWFHLSIKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-4-2-6-17(25(21)19(26)24-20)15(13)12-27-18-7-3-5-16(23-18)14-8-10-22-11-9-14/h2-11H,12,20-21H2,1H3,(H,24,26).
What are the key properties of 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea?
1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea has a molecular weight of 364.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-[3-methyl-2-[(6-pyridin-4-yl-2-pyridinyl)oxymethyl]phenyl]urea is sourced from PubChem (CID 146632989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).