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

C18H15N5O3 — CID 113042002

IUPACN-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccn2)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N5O3/c24-18(12-4-5-14-15(9-12)26-11-25-14)21-17-7-6-16(22-23-17)20-10-13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,22)(H,21,23,24)
InChIKeyLUOGBIAVFLPMAS-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.46
Rot. Bonds5

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

N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113042002) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113042002
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccn2)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N5O3/c24-18(12-4-5-14-15(9-12)26-11-25-14)21-17-7-6-16(22-23-17)20-10-13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,22)(H,21,23,24)
InChIKeyLUOGBIAVFLPMAS-UHFFFAOYSA-N
XLogP2.46
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113051566
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113042002) is N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(NCc2ccccn2)nn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LUOGBIAVFLPMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-18(12-4-5-14-15(9-12)26-11-25-14)21-17-7-6-16(22-23-17)20-10-13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113042002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).