6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine

C21H24N4O — CID 167137722

IUPAC6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1ccc2ccccc2c1-c1ccc(N[C@@H]2CCCN(C)C2)nn1
InChIInChI=1S/C21H24N4O/c1-25-13-5-7-16(14-25)22-20-12-10-18(23-24-20)21-17-8-4-3-6-15(17)9-11-19(21)26-2/h3-4,6,8-12,16H,5,7,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyOGKVWNSPJAPXHT-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.81
Rot. Bonds4

About 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine

6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 167137722) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID167137722
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1ccc2ccccc2c1-c1ccc(N[C@@H]2CCCN(C)C2)nn1
InChIInChI=1S/C21H24N4O/c1-25-13-5-7-16(14-25)22-20-12-10-18(23-24-20)21-17-8-4-3-6-15(17)9-11-19(21)26-2/h3-4,6,8-12,16H,5,7,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyOGKVWNSPJAPXHT-MRXNPFEDSA-N
XLogP3.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 167137722) is 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is COc1ccc2ccccc2c1-c1ccc(N[C@@H]2CCCN(C)C2)nn1.
What is the InChIKey of 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is OGKVWNSPJAPXHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25-13-5-7-16(14-25)22-20-12-10-18(23-24-20)21-17-8-4-3-6-15(17)9-11-19(21)26-2/h3-4,6,8-12,16H,5,7,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 167137722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).