6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide

C15H16N4O3 — CID 109109368

IUPAC6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C15H16N4O3/c1-2-7-16-15(20)11-4-6-14(19-18-11)17-10-3-5-12-13(8-10)22-9-21-12/h3-6,8H,2,7,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyLFPWTIXNLKUTOQ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.09
Rot. Bonds5

About 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide

6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide (PubChem CID 109109368) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
PubChem CID109109368
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C15H16N4O3/c1-2-7-16-15(20)11-4-6-14(19-18-11)17-10-3-5-12-13(8-10)22-9-21-12/h3-6,8H,2,7,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyLFPWTIXNLKUTOQ-UHFFFAOYSA-N
XLogP2.09
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094
6-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119622
6-(1,3-benzodioxol-5-ylamino)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118447
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-(1,3-benzodioxol-5-yl)-6-(4-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109129628
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide (CID 109109368) is 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide?
The InChIKey is LFPWTIXNLKUTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-7-16-15(20)11-4-6-14(19-18-11)17-10-3-5-12-13(8-10)22-9-21-12/h3-6,8H,2,7,9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide?
6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.09, 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-ylamino)-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).