6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide

C19H22N4O3 — CID 109113004

IUPAC6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H22N4O3/c24-19(21-14-4-2-1-3-5-14)15-7-9-18(23-22-15)20-11-13-6-8-16-17(10-13)26-12-25-16/h6-10,14H,1-5,11-12H2,(H,20,23)(H,21,24)
InChIKeyVZVYTKACBWHLFD-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds5

About 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide

6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide (PubChem CID 109113004) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
PubChem CID109113004
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H22N4O3/c24-19(21-14-4-2-1-3-5-14)15-7-9-18(23-22-15)20-11-13-6-8-16-17(10-13)26-12-25-16/h6-10,14H,1-5,11-12H2,(H,20,23)(H,21,24)
InChIKeyVZVYTKACBWHLFD-UHFFFAOYSA-N
XLogP2.88
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide
CID 109273911
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298799
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179867
methyl 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylate
CID 60757560
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118589
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide (CID 109113004) is 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(NCc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide?
The InChIKey is VZVYTKACBWHLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-19(21-14-4-2-1-3-5-14)15-7-9-18(23-22-15)20-11-13-6-8-16-17(10-13)26-12-25-16/h6-10,14H,1-5,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide?
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide is sourced from PubChem (CID 109113004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).