N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

C20H18N4O3 — CID 109118331

IUPACN-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nn2)c1
InChIInChI=1S/C20H18N4O3/c1-13-3-2-4-14(9-13)11-21-19-8-6-16(23-24-19)20(25)22-15-5-7-17-18(10-15)27-12-26-17/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyIDKALKQUCLOFRX-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.38
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118331) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118331
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nn2)c1
InChIInChI=1S/C20H18N4O3/c1-13-3-2-4-14(9-13)11-21-19-8-6-16(23-24-19)20(25)22-15-5-7-17-18(10-15)27-12-26-17/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyIDKALKQUCLOFRX-UHFFFAOYSA-N
XLogP3.38
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188590
6-(1,3-benzodioxol-5-ylamino)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118447
N-(1,3-benzodioxol-5-yl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327655
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118589
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
N-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188826
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118331) is N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1cccc(CNc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nn2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is IDKALKQUCLOFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-3-2-4-14(9-13)11-21-19-8-6-16(23-24-19)20(25)22-15-5-7-17-18(10-15)27-12-26-17/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).