N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C21H24N4O — CID 119127439

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOc1ccc(CNC2CCCN(c3cccnn3)C2)c2ccccc12
InChIInChI=1S/C21H24N4O/c1-26-20-11-10-16(18-7-2-3-8-19(18)20)14-22-17-6-5-13-25(15-17)21-9-4-12-23-24-21/h2-4,7-12,17,22H,5-6,13-15H2,1H3
InChIKeyMYJYVVDKUJRNAZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119127439) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119127439
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOc1ccc(CNC2CCCN(c3cccnn3)C2)c2ccccc12
InChIInChI=1S/C21H24N4O/c1-26-20-11-10-16(18-7-2-3-8-19(18)20)14-22-17-6-5-13-25(15-17)21-9-4-12-23-24-21/h2-4,7-12,17,22H,5-6,13-15H2,1H3
InChIKeyMYJYVVDKUJRNAZ-UHFFFAOYSA-N
XLogP3.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119124011
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987
2-methoxy-5-nitro-4-[[(1-pyridazin-3-ylpiperidin-3-yl)amino]methyl]phenol
CID 119127366
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95610632
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119127439) is N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is COc1ccc(CNC2CCCN(c3cccnn3)C2)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is MYJYVVDKUJRNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-20-11-10-16(18-7-2-3-8-19(18)20)14-22-17-6-5-13-25(15-17)21-9-4-12-23-24-21/h2-4,7-12,17,22H,5-6,13-15H2,1H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119127439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).