N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine

C16H21N5 — CID 56781011

IUPACN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccccn1)CC1CCCN1c1cccnn1
InChIInChI=1S/C16H21N5/c1-20(12-14-6-2-3-9-17-14)13-15-7-5-11-21(15)16-8-4-10-18-19-16/h2-4,6,8-10,15H,5,7,11-13H2,1H3
InChIKeyNJMRLIBHBGLWGV-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine

N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56781011) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56781011
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccccn1)CC1CCCN1c1cccnn1
InChIInChI=1S/C16H21N5/c1-20(12-14-6-2-3-9-17-14)13-15-7-5-11-21(15)16-8-4-10-18-19-16/h2-4,6,8-10,15H,5,7,11-13H2,1H3
InChIKeyNJMRLIBHBGLWGV-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 56781011) is N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine is CN(Cc1ccccn1)CC1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is NJMRLIBHBGLWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20(12-14-6-2-3-9-17-14)13-15-7-5-11-21(15)16-8-4-10-18-19-16/h2-4,6,8-10,15H,5,7,11-13H2,1H3.
What are the key properties of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 283.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56781011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).