1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C26H26ClN5O — CID 30361698

IUPAC1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C26H26ClN5O/c27-21-7-5-18(6-8-21)23-9-10-25(31-30-23)32-15-12-19(13-16-32)26(33)28-14-11-20-17-29-24-4-2-1-3-22(20)24/h1-10,17,19,29H,11-16H2,(H,28,33)
InChIKeyCMCADVIBPVZLKF-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.85
Rot. Bonds6

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 30361698) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID30361698
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C26H26ClN5O/c27-21-7-5-18(6-8-21)23-9-10-25(31-30-23)32-15-12-19(13-16-32)26(33)28-14-11-20-17-29-24-4-2-1-3-22(20)24/h1-10,17,19,29H,11-16H2,(H,28,33)
InChIKeyCMCADVIBPVZLKF-UHFFFAOYSA-N
XLogP4.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
N-[2-(1H-indol-3-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810836
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018176
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46378566
N-(1H-indol-3-ylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601612

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 30361698) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CMCADVIBPVZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O/c27-21-7-5-18(6-8-21)23-9-10-25(31-30-23)32-15-12-19(13-16-32)26(33)28-14-11-20-17-29-24-4-2-1-3-22(20)24/h1-10,17,19,29H,11-16H2,(H,28,33).
What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 30361698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).