N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide

C18H13ClN4O3 — CID 113050240

IUPACN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc3c(c2)OCO3)nn1)c1ccccc1Cl
InChIInChI=1S/C18H13ClN4O3/c19-13-4-2-1-3-12(13)18(24)21-17-8-7-16(22-23-17)20-11-5-6-14-15(9-11)26-10-25-14/h1-9H,10H2,(H,20,22)(H,21,23,24)
InChIKeyOJZUAHAEWNHYDH-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.85
Rot. Bonds4

About N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide (PubChem CID 113050240) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
PubChem CID113050240
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC NameN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc3c(c2)OCO3)nn1)c1ccccc1Cl
InChIInChI=1S/C18H13ClN4O3/c19-13-4-2-1-3-12(13)18(24)21-17-8-7-16(22-23-17)20-11-5-6-14-15(9-11)26-10-25-14/h1-9H,10H2,(H,20,22)(H,21,23,24)
InChIKeyOJZUAHAEWNHYDH-UHFFFAOYSA-N
XLogP3.85
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
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-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 51147231
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 9138264
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide?
The IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide (CID 113050240) is N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide?
The canonical SMILES for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide is O=C(Nc1ccc(Nc2ccc3c(c2)OCO3)nn1)c1ccccc1Cl.
What is the InChIKey of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide?
The InChIKey is OJZUAHAEWNHYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c19-13-4-2-1-3-12(13)18(24)21-17-8-7-16(22-23-17)20-11-5-6-14-15(9-11)26-10-25-14/h1-9H,10H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide?
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide has a molecular weight of 368.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 113050240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).