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

C19H24BrN5O — CID 86894674

IUPACN-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C19H24BrN5O/c1-14(19(26)22-16-7-3-6-15(20)12-16)24(2)13-17-8-5-11-25(17)18-9-4-10-21-23-18/h3-4,6-7,9-10,12,14,17H,5,8,11,13H2,1-2H3,(H,22,26)
InChIKeyLFNRSCQCVDYBMT-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.17
Rot. Bonds6

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

N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide (PubChem CID 86894674) has the molecular formula C19H24BrN5O and a molecular weight of 418.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
PubChem CID86894674
Molecular FormulaC19H24BrN5O
Molecular Weight418.34 g/mol
Exact Mass417.12
IUPAC NameN-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C19H24BrN5O/c1-14(19(26)22-16-7-3-6-15(20)12-16)24(2)13-17-8-5-11-25(17)18-9-4-10-21-23-18/h3-4,6-7,9-10,12,14,17H,5,8,11,13H2,1-2H3,(H,22,26)
InChIKeyLFNRSCQCVDYBMT-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide (CID 86894674) is N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide is CC(C(=O)Nc1cccc(Br)c1)N(C)CC1CCCN1c1cccnn1.
What is the InChIKey of N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
The InChIKey is LFNRSCQCVDYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O/c1-14(19(26)22-16-7-3-6-15(20)12-16)24(2)13-17-8-5-11-25(17)18-9-4-10-21-23-18/h3-4,6-7,9-10,12,14,17H,5,8,11,13H2,1-2H3,(H,22,26).
What are the key properties of N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide has a molecular weight of 418.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 86894674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).