2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide

C25H35N5O2 — CID 93156371

IUPAC2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
SMILESCC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C(C)C
InChIInChI=1S/C25H35N5O2/c1-5-20(4)17-30(25(32)19(2)3)18-24(31)29-15-13-28(14-16-29)23-12-11-22(26-27-23)21-9-7-6-8-10-21/h6-12,19-20H,5,13-18H2,1-4H3/t20-/m1/s1
InChIKeySTYWLBQQQMWYBU-HXUWFJFHSA-N
MW437.59 g/mol
LogP3.32
Rot. Bonds8

About 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide

2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide (PubChem CID 93156371) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
PubChem CID93156371
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
SMILESCC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C(C)C
InChIInChI=1S/C25H35N5O2/c1-5-20(4)17-30(25(32)19(2)3)18-24(31)29-15-13-28(14-16-29)23-12-11-22(26-27-23)21-9-7-6-8-10-21/h6-12,19-20H,5,13-18H2,1-4H3/t20-/m1/s1
InChIKeySTYWLBQQQMWYBU-HXUWFJFHSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
CID 93156372
3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide
CID 93160222
4-chloro-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]benzamide
CID 93156386
4-fluoro-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 98371743
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 46006196
N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
CID 42832328
2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide
CID 93156348
3-methoxy-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 98371817
3-fluoro-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 93156956
N-[(2R)-butan-2-yl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 93155052
N-butan-2-yl-4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 42836541
N-ethyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 46001516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide (CID 93156371) is 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide is CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide?
The InChIKey is STYWLBQQQMWYBU-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-5-20(4)17-30(25(32)19(2)3)18-24(31)29-15-13-28(14-16-29)23-12-11-22(26-27-23)21-9-7-6-8-10-21/h6-12,19-20H,5,13-18H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide?
2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide has a molecular weight of 437.59 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 93156371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).