N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide

C29H28N4O2 — CID 121046362

IUPACN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cc3)nn2)CC1
InChIInChI=1S/C29H28N4O2/c1-21-17-19-33(20-18-21)28-16-15-27(31-32-28)22-7-11-24(12-8-22)30-29(34)23-9-13-26(14-10-23)35-25-5-3-2-4-6-25/h2-16,21H,17-20H2,1H3,(H,30,34)
InChIKeyMODAMAHJPXFFEH-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.42
Rot. Bonds6

About N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide

N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide (PubChem CID 121046362) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
PubChem CID121046362
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cc3)nn2)CC1
InChIInChI=1S/C29H28N4O2/c1-21-17-19-33(20-18-21)28-16-15-27(31-32-28)22-7-11-24(12-8-22)30-29(34)23-9-13-26(14-10-23)35-25-5-3-2-4-6-25/h2-16,21H,17-20H2,1H3,(H,30,34)
InChIKeyMODAMAHJPXFFEH-UHFFFAOYSA-N
XLogP6.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
CID 121046365
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41089285
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077581
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide (CID 121046362) is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide is CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide?
The InChIKey is MODAMAHJPXFFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-21-17-19-33(20-18-21)28-16-15-27(31-32-28)22-7-11-24(12-8-22)30-29(34)23-9-13-26(14-10-23)35-25-5-3-2-4-6-25/h2-16,21H,17-20H2,1H3,(H,30,34).
What are the key properties of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide?
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide has a molecular weight of 464.57 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide is sourced from PubChem (CID 121046362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).