6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

C20H26N4O2 — CID 109115031

IUPAC6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C20H26N4O2/c1-15(2)24(14-16-7-4-3-5-8-16)19-11-10-18(22-23-19)20(25)21-13-17-9-6-12-26-17/h3-5,7-8,10-11,15,17H,6,9,12-14H2,1-2H3,(H,21,25)
InChIKeySEXVSHSIMHEDSG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.80
Rot. Bonds7

About 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109115031) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109115031
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C20H26N4O2/c1-15(2)24(14-16-7-4-3-5-8-16)19-11-10-18(22-23-19)20(25)21-13-17-9-6-12-26-17/h3-5,7-8,10-11,15,17H,6,9,12-14H2,1-2H3,(H,21,25)
InChIKeySEXVSHSIMHEDSG-UHFFFAOYSA-N
XLogP2.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
6-[benzyl(ethyl)amino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153623
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109185160
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156748
1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
2-[[benzyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156932

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (CID 109115031) is 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)c1ccc(C(=O)NCC2CCCO2)nn1.
What is the InChIKey of 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is SEXVSHSIMHEDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)24(14-16-7-4-3-5-8-16)19-11-10-18(22-23-19)20(25)21-13-17-9-6-12-26-17/h3-5,7-8,10-11,15,17H,6,9,12-14H2,1-2H3,(H,21,25).
What are the key properties of 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).