N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide

C18H23N5O — CID 7593164

IUPACN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C18H23N5O/c1-3-18(24)19-15-6-4-5-14(13-15)16-7-8-17(21-20-16)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,19,24)
InChIKeyQGGMQVXBWRAPQO-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.24
Rot. Bonds4

About N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide (PubChem CID 7593164) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
PubChem CID7593164
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C18H23N5O/c1-3-18(24)19-15-6-4-5-14(13-15)16-7-8-17(21-20-16)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,19,24)
InChIKeyQGGMQVXBWRAPQO-UHFFFAOYSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide (CID 7593164) is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1.
What is the InChIKey of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The InChIKey is QGGMQVXBWRAPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-18(24)19-15-6-4-5-14(13-15)16-7-8-17(21-20-16)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,19,24).
What are the key properties of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide has a molecular weight of 325.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide is sourced from PubChem (CID 7593164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).