N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

C28H26ClN5O — CID 121071550

IUPACN-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C28H26ClN5O/c29-22-10-8-20(9-11-22)26-16-17-27(33-32-26)34-18-4-5-21(19-34)28(35)31-25-14-12-24(13-15-25)30-23-6-2-1-3-7-23/h1-3,6-17,21,30H,4-5,18-19H2,(H,31,35)
InChIKeyCOQNQHAUWRWIEN-UHFFFAOYSA-N
MW484.00 g/mol
LogP6.40
Rot. Bonds6

About N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121071550) has the molecular formula C28H26ClN5O and a molecular weight of 484.00 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121071550
Molecular FormulaC28H26ClN5O
Molecular Weight484.00 g/mol
Exact Mass483.18
IUPAC NameN-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C28H26ClN5O/c29-22-10-8-20(9-11-22)26-16-17-27(33-32-26)34-18-4-5-21(19-34)28(35)31-25-14-12-24(13-15-25)30-23-6-2-1-3-7-23/h1-3,6-17,21,30H,4-5,18-19H2,(H,31,35)
InChIKeyCOQNQHAUWRWIEN-UHFFFAOYSA-N
XLogP6.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866208
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 121071544
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121071550) is N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1.
What is the InChIKey of N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is COQNQHAUWRWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O/c29-22-10-8-20(9-11-22)26-16-17-27(33-32-26)34-18-4-5-21(19-34)28(35)31-25-14-12-24(13-15-25)30-23-6-2-1-3-7-23/h1-3,6-17,21,30H,4-5,18-19H2,(H,31,35).
What are the key properties of N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121071550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).