6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide

C16H17N3O2 — CID 113200156

IUPAC6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C2CC2)nn1
InChIInChI=1S/C16H17N3O2/c1-21-15-5-3-2-4-12(15)10-17-16(20)14-9-8-13(18-19-14)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,20)
InChIKeyVLTNCYMLLHQNPB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds5

About 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide

6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 113200156) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID113200156
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C2CC2)nn1
InChIInChI=1S/C16H17N3O2/c1-21-15-5-3-2-4-12(15)10-17-16(20)14-9-8-13(18-19-14)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,20)
InChIKeyVLTNCYMLLHQNPB-UHFFFAOYSA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109430
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109111374
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
N-[(2-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183440
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 92640464
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109190182
6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120146

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide (CID 113200156) is 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(C2CC2)nn1.
What is the InChIKey of 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is VLTNCYMLLHQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-5-3-2-4-12(15)10-17-16(20)14-9-8-13(18-19-14)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,20).
What are the key properties of 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 113200156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).