1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea

C19H19N5O2 — CID 113041714

IUPAC1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
SMILESCOc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C19H19N5O2/c1-26-16-10-6-5-7-14(16)13-20-17-11-12-18(24-23-17)22-19(25)21-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,23)(H2,21,22,24,25)
InChIKeyGLVDOEFRROWRMM-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.74
Rot. Bonds6

About 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea

1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea (PubChem CID 113041714) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
PubChem CID113041714
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
SMILESCOc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C19H19N5O2/c1-26-16-10-6-5-7-14(16)13-20-17-11-12-18(24-23-17)22-19(25)21-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,23)(H2,21,22,24,25)
InChIKeyGLVDOEFRROWRMM-UHFFFAOYSA-N
XLogP3.74
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109119978
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
CID 113041669
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea (CID 113041714) is 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea is COc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)nn1.
What is the InChIKey of 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea?
The InChIKey is GLVDOEFRROWRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-16-10-6-5-7-14(16)13-20-17-11-12-18(24-23-17)22-19(25)21-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,23)(H2,21,22,24,25).
What are the key properties of 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea?
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea has a molecular weight of 349.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea is sourced from PubChem (CID 113041714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).