N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

C18H12F2N4O3 — CID 113051566

IUPACN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H12F2N4O3/c19-11-2-1-3-12(20)17(11)21-15-6-7-16(24-23-15)22-18(25)10-4-5-13-14(8-10)27-9-26-13/h1-8H,9H2,(H,21,23)(H,22,24,25)
InChIKeyCWDIJMNVFHKXHW-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.48
Rot. Bonds4

About N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113051566) has the molecular formula C18H12F2N4O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113051566
Molecular FormulaC18H12F2N4O3
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H12F2N4O3/c19-11-2-1-3-12(20)17(11)21-15-6-7-16(24-23-15)22-18(25)10-4-5-13-14(8-10)27-9-26-13/h1-8H,9H2,(H,21,23)(H,22,24,25)
InChIKeyCWDIJMNVFHKXHW-UHFFFAOYSA-N
XLogP3.48
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.48
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
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113051572
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045169
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113051566) is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Nc2c(F)cccc2F)nn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CWDIJMNVFHKXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3/c19-11-2-1-3-12(20)17(11)21-15-6-7-16(24-23-15)22-18(25)10-4-5-13-14(8-10)27-9-26-13/h1-8H,9H2,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113051566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).