N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

C19H14N4O5 — CID 113050244

IUPACN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc3c(c2)OCO3)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N4O5/c24-19(11-1-3-13-15(7-11)27-9-25-13)21-18-6-5-17(22-23-18)20-12-2-4-14-16(8-12)28-10-26-14/h1-8H,9-10H2,(H,20,22)(H,21,23,24)
InChIKeyYYPGCIYIUDCQCA-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.93
Rot. Bonds4

About N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113050244) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113050244
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC NameN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc3c(c2)OCO3)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N4O5/c24-19(11-1-3-13-15(7-11)27-9-25-13)21-18-6-5-17(22-23-18)20-12-2-4-14-16(8-12)28-10-26-14/h1-8H,9-10H2,(H,20,22)(H,21,23,24)
InChIKeyYYPGCIYIUDCQCA-UHFFFAOYSA-N
XLogP2.93
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113051566
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113050208
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045169
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113050244) is N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Nc2ccc3c(c2)OCO3)nn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YYPGCIYIUDCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c24-19(11-1-3-13-15(7-11)27-9-25-13)21-18-6-5-17(22-23-18)20-12-2-4-14-16(8-12)28-10-26-14/h1-8H,9-10H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113050244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).