N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide

C21H29N5O2 — CID 125445112

IUPACN-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESCC[C@H](CNC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)OC
InChIInChI=1S/C21H29N5O2/c1-4-18(28-3)15-22-21(27)17-7-5-16(6-8-17)19-9-10-20(24-23-19)26-13-11-25(2)12-14-26/h5-10,18H,4,11-15H2,1-3H3,(H,22,27)/t18-/m1/s1
InChIKeyFAFWPLOEQVQZFI-GOSISDBHSA-N
MW383.50 g/mol
LogP2.05
Rot. Bonds7

About N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide

N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 125445112) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
PubChem CID125445112
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESCC[C@H](CNC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)OC
InChIInChI=1S/C21H29N5O2/c1-4-18(28-3)15-22-21(27)17-7-5-16(6-8-17)19-9-10-20(24-23-19)26-13-11-25(2)12-14-26/h5-10,18H,4,11-15H2,1-3H3,(H,22,27)/t18-/m1/s1
InChIKeyFAFWPLOEQVQZFI-GOSISDBHSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide (CID 125445112) is N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide is CC[C@H](CNC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)OC.
What is the InChIKey of N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is FAFWPLOEQVQZFI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-18(28-3)15-22-21(27)17-7-5-16(6-8-17)19-9-10-20(24-23-19)26-13-11-25(2)12-14-26/h5-10,18H,4,11-15H2,1-3H3,(H,22,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 383.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 125445112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).