1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide

C21H24ClN5O2 — CID 71701084

IUPAC1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide
SMILESCOCCn1ccc2c(NC(=O)C3CCCN(c4ccc(Cl)nn4)C3)cccc21
InChIInChI=1S/C21H24ClN5O2/c1-29-13-12-26-11-9-16-17(5-2-6-18(16)26)23-21(28)15-4-3-10-27(14-15)20-8-7-19(22)24-25-20/h2,5-9,11,15H,3-4,10,12-14H2,1H3,(H,23,28)
InChIKeyJNIVITDSRIKSCK-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.59
Rot. Bonds6

About 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide

1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide (PubChem CID 71701084) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide
PubChem CID71701084
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide
SMILESCOCCn1ccc2c(NC(=O)C3CCCN(c4ccc(Cl)nn4)C3)cccc21
InChIInChI=1S/C21H24ClN5O2/c1-29-13-12-26-11-9-16-17(5-2-6-18(16)26)23-21(28)15-4-3-10-27(14-15)20-8-7-19(22)24-25-20/h2,5-9,11,15H,3-4,10,12-14H2,1H3,(H,23,28)
InChIKeyJNIVITDSRIKSCK-UHFFFAOYSA-N
XLogP3.59
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
CID 96557312
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 51956458
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
N-naphthalen-1-yl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601037
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955118

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide (CID 71701084) is 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide is COCCn1ccc2c(NC(=O)C3CCCN(c4ccc(Cl)nn4)C3)cccc21.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide?
The InChIKey is JNIVITDSRIKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-29-13-12-26-11-9-16-17(5-2-6-18(16)26)23-21(28)15-4-3-10-27(14-15)20-8-7-19(22)24-25-20/h2,5-9,11,15H,3-4,10,12-14H2,1H3,(H,23,28).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71701084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).