N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine

C19H19N5 — CID 166363589

IUPACN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine
SMILESCN1Cc2ccccc2C1CNc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C19H19N5/c1-24-13-14-6-2-3-7-15(14)18(24)12-21-19-10-9-17(22-23-19)16-8-4-5-11-20-16/h2-11,18H,12-13H2,1H3,(H,21,23)
InChIKeyDCUXZYWBPXFCNP-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine

N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine (PubChem CID 166363589) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine
PubChem CID166363589
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine
SMILESCN1Cc2ccccc2C1CNc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C19H19N5/c1-24-13-14-6-2-3-7-15(14)18(24)12-21-19-10-9-17(22-23-19)16-8-4-5-11-20-16/h2-11,18H,12-13H2,1H3,(H,21,23)
InChIKeyDCUXZYWBPXFCNP-UHFFFAOYSA-N
XLogP3.14
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine?
The IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine (CID 166363589) is N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine?
The canonical SMILES for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine is CN1Cc2ccccc2C1CNc1ccc(-c2ccccn2)nn1.
What is the InChIKey of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine?
The InChIKey is DCUXZYWBPXFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-24-13-14-6-2-3-7-15(14)18(24)12-21-19-10-9-17(22-23-19)16-8-4-5-11-20-16/h2-11,18H,12-13H2,1H3,(H,21,23).
What are the key properties of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine?
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine has a molecular weight of 317.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine is sourced from PubChem (CID 166363589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).