2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol

C21H24N4O — CID 170442415

IUPAC2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2ccccc2c1O
InChIInChI=1S/C21H24N4O/c1-14-12-19(22-16-7-5-11-25(2)13-16)23-24-20(14)18-10-9-15-6-3-4-8-17(15)21(18)26/h3-4,6,8-10,12,16,26H,5,7,11,13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyUDSRIHQUIWJFIL-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.82
Rot. Bonds3

About 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol

2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol (PubChem CID 170442415) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol
PubChem CID170442415
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2ccccc2c1O
InChIInChI=1S/C21H24N4O/c1-14-12-19(22-16-7-5-11-25(2)13-16)23-24-20(14)18-10-9-15-6-3-4-8-17(15)21(18)26/h3-4,6,8-10,12,16,26H,5,7,11,13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyUDSRIHQUIWJFIL-MRXNPFEDSA-N
XLogP3.82
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol (CID 170442415) is 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2ccccc2c1O.
What is the InChIKey of 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol?
The InChIKey is UDSRIHQUIWJFIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-12-19(22-16-7-5-11-25(2)13-16)23-24-20(14)18-10-9-15-6-3-4-8-17(15)21(18)26/h3-4,6,8-10,12,16,26H,5,7,11,13H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol?
2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol has a molecular weight of 348.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]naphthalen-1-ol is sourced from PubChem (CID 170442415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).