(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide

C19H20ClN5O — CID 96557312

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)cccc21
InChIInChI=1S/C19H20ClN5O/c1-24-11-9-14-15(5-2-6-16(14)24)21-19(26)13-4-3-10-25(12-13)18-8-7-17(20)22-23-18/h2,5-9,11,13H,3-4,10,12H2,1H3,(H,21,26)/t13-/m1/s1
InChIKeyGRIYSVBXNDCEIQ-CYBMUJFWSA-N
MW369.86 g/mol
LogP3.48
Rot. Bonds3

About (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide (PubChem CID 96557312) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
PubChem CID96557312
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)cccc21
InChIInChI=1S/C19H20ClN5O/c1-24-11-9-14-15(5-2-6-16(14)24)21-19(26)13-4-3-10-25(12-13)18-8-7-17(20)22-23-18/h2,5-9,11,13H,3-4,10,12H2,1H3,(H,21,26)/t13-/m1/s1
InChIKeyGRIYSVBXNDCEIQ-CYBMUJFWSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide
CID 71701084
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 51956458
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide (CID 96557312) is (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide is Cn1ccc2c(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)cccc21.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide?
The InChIKey is GRIYSVBXNDCEIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-24-11-9-14-15(5-2-6-16(14)24)21-19(26)13-4-3-10-25(12-13)18-8-7-17(20)22-23-18/h2,5-9,11,13H,3-4,10,12H2,1H3,(H,21,26)/t13-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 96557312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).