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

C27H27N5O — CID 121046365

IUPACN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(-n5cccc5)cc4)cc3)nn2)CC1
InChIInChI=1S/C27H27N5O/c1-20-14-18-32(19-15-20)26-13-12-25(29-30-26)21-4-8-23(9-5-21)28-27(33)22-6-10-24(11-7-22)31-16-2-3-17-31/h2-13,16-17,20H,14-15,18-19H2,1H3,(H,28,33)
InChIKeyVXDQENDGBQWKRJ-UHFFFAOYSA-N
MW437.55 g/mol
LogP5.42
Rot. Bonds5

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

N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 121046365) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID121046365
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(-n5cccc5)cc4)cc3)nn2)CC1
InChIInChI=1S/C27H27N5O/c1-20-14-18-32(19-15-20)26-13-12-25(29-30-26)21-4-8-23(9-5-21)28-27(33)22-6-10-24(11-7-22)31-16-2-3-17-31/h2-13,16-17,20H,14-15,18-19H2,1H3,(H,28,33)
InChIKeyVXDQENDGBQWKRJ-UHFFFAOYSA-N
XLogP5.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 55.42
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-(trifluoromethyl)benzamide
CID 41089285
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
CID 121046362
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
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-[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-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
CID 53035074

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide (CID 121046365) is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide is CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(-n5cccc5)cc4)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is VXDQENDGBQWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-20-14-18-32(19-15-20)26-13-12-25(29-30-26)21-4-8-23(9-5-21)28-27(33)22-6-10-24(11-7-22)31-16-2-3-17-31/h2-13,16-17,20H,14-15,18-19H2,1H3,(H,28,33).
What are the key properties of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide?
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 437.55 g/mol, XLogP of 5.42, 5 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-pyrrol-1-ylbenzamide is sourced from PubChem (CID 121046365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).