N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine

C21H18N4 — CID 71464710

IUPACN,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine
SMILESCN(C)c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3
InChIKeyODFGOBPLQKLCRM-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.42
Rot. Bonds3

About N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine

N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine (PubChem CID 71464710) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine
PubChem CID71464710
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine
SMILESCN(C)c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3
InChIKeyODFGOBPLQKLCRM-UHFFFAOYSA-N
XLogP4.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine?
The IUPAC name of N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine (CID 71464710) is N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine?
The canonical SMILES for N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine is CN(C)c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1.
What is the InChIKey of N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine?
The InChIKey is ODFGOBPLQKLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3.
What are the key properties of N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine?
N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine has a molecular weight of 326.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridazin-3-amine is sourced from PubChem (CID 71464710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).