(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide

C25H29N5O — CID 7593177

IUPAC(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1)c1ccccc1
InChIInChI=1S/C25H29N5O/c1-3-22(19-8-5-4-6-9-19)25(31)26-21-11-7-10-20(18-21)23-12-13-24(28-27-23)30-16-14-29(2)15-17-30/h4-13,18,22H,3,14-17H2,1-2H3,(H,26,31)/t22-/m1/s1
InChIKeyGAUDTUFMNTTYSD-JOCHJYFZSA-N
MW415.54 g/mol
LogP4.03
Rot. Bonds6

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

(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide (PubChem CID 7593177) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
PubChem CID7593177
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1)c1ccccc1
InChIInChI=1S/C25H29N5O/c1-3-22(19-8-5-4-6-9-19)25(31)26-21-11-7-10-20(18-21)23-12-13-24(28-27-23)30-16-14-29(2)15-17-30/h4-13,18,22H,3,14-17H2,1-2H3,(H,26,31)/t22-/m1/s1
InChIKeyGAUDTUFMNTTYSD-JOCHJYFZSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
CID 7593151
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670451
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 7593356
2-iodo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077662
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
2-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7422407
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,3-diphenylpropanamide
CID 43991321

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide (CID 7593177) is (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide?
The InChIKey is GAUDTUFMNTTYSD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N5O/c1-3-22(19-8-5-4-6-9-19)25(31)26-21-11-7-10-20(18-21)23-12-13-24(28-27-23)30-16-14-29(2)15-17-30/h4-13,18,22H,3,14-17H2,1-2H3,(H,26,31)/t22-/m1/s1.
What are the key properties of (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide?
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide has a molecular weight of 415.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7593177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).