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

C29H28N4O — CID 43991300

IUPACN-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn2)CC1
InChIInChI=1S/C29H28N4O/c1-21-16-18-33(19-17-21)28-15-14-27(31-32-28)25-8-5-9-26(20-25)30-29(34)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-15,20-21H,16-19H2,1H3,(H,30,34)
InChIKeyNPRGHAGWURJWGX-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.30
Rot. Bonds5

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

N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide (PubChem CID 43991300) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
PubChem CID43991300
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC NameN-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn2)CC1
InChIInChI=1S/C29H28N4O/c1-21-16-18-33(19-17-21)28-15-14-27(31-32-28)25-8-5-9-26(20-25)30-29(34)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-15,20-21H,16-19H2,1H3,(H,30,34)
InChIKeyNPRGHAGWURJWGX-UHFFFAOYSA-N
XLogP6.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077581
2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077570
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
CID 121046362
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991572
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
CID 121046365
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41089285
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzamide
CID 43991324

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide (CID 43991300) is N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide is CC1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn2)CC1.
What is the InChIKey of N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide?
The InChIKey is NPRGHAGWURJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-21-16-18-33(19-17-21)28-15-14-27(31-32-28)25-8-5-9-26(20-25)30-29(34)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-15,20-21H,16-19H2,1H3,(H,30,34).
What are the key properties of N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide?
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide has a molecular weight of 448.57 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 43991300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).