N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C20H24N6 — CID 56781014

IUPACN-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCc1nc2ccccc2nc1CN(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C20H24N6/c1-15-19(23-18-9-4-3-8-17(18)22-15)14-25(2)13-16-7-6-12-26(16)20-10-5-11-21-24-20/h3-5,8-11,16H,6-7,12-14H2,1-2H3
InChIKeyZJPOGJHUKIGWGD-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56781014) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56781014
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCc1nc2ccccc2nc1CN(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C20H24N6/c1-15-19(23-18-9-4-3-8-17(18)22-15)14-25(2)13-16-7-6-12-26(16)20-10-5-11-21-24-20/h3-5,8-11,16H,6-7,12-14H2,1-2H3
InChIKeyZJPOGJHUKIGWGD-UHFFFAOYSA-N
XLogP2.83
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56781014) is N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is Cc1nc2ccccc2nc1CN(C)CC1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is ZJPOGJHUKIGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-19(23-18-9-4-3-8-17(18)22-15)14-25(2)13-16-7-6-12-26(16)20-10-5-11-21-24-20/h3-5,8-11,16H,6-7,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 348.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56781014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).