3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide

C19H24N4O — CID 71875353

IUPAC3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCC2CCCN2c2cccnn2)c1
InChIInChI=1S/C19H24N4O/c1-15-5-2-6-16(13-15)9-10-19(24)20-14-17-7-4-12-23(17)18-8-3-11-21-22-18/h2-3,5-6,8,11,13,17H,4,7,9-10,12,14H2,1H3,(H,20,24)
InChIKeyKTEYALBAHBGGNR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.50
Rot. Bonds6

About 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide

3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 71875353) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide
PubChem CID71875353
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCC2CCCN2c2cccnn2)c1
InChIInChI=1S/C19H24N4O/c1-15-5-2-6-16(13-15)9-10-19(24)20-14-17-7-4-12-23(17)18-8-3-11-21-22-18/h2-3,5-6,8,11,13,17H,4,7,9-10,12,14H2,1H3,(H,20,24)
InChIKeyKTEYALBAHBGGNR-UHFFFAOYSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide (CID 71875353) is 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide is Cc1cccc(CCC(=O)NCC2CCCN2c2cccnn2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is KTEYALBAHBGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-5-2-6-16(13-15)9-10-19(24)20-14-17-7-4-12-23(17)18-8-3-11-21-22-18/h2-3,5-6,8,11,13,17H,4,7,9-10,12,14H2,1H3,(H,20,24).
What are the key properties of 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide?
3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 71875353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).