(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C19H23ClN4O4 — CID 94161179

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H23ClN4O4/c1-26-14-9-13(10-15(27-2)18(14)28-3)21-19(25)12-5-4-8-24(11-12)17-7-6-16(20)22-23-17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,21,25)/t12-/m1/s1
InChIKeyYCGOGBJGRZYTST-GFCCVEGCSA-N
MW406.87 g/mol
LogP3.01
Rot. Bonds6

About (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 94161179) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID94161179
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H23ClN4O4/c1-26-14-9-13(10-15(27-2)18(14)28-3)21-19(25)12-5-4-8-24(11-12)17-7-6-16(20)22-23-17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,21,25)/t12-/m1/s1
InChIKeyYCGOGBJGRZYTST-GFCCVEGCSA-N
XLogP3.01
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95564061
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
(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-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 94161179) is (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(OC)c1OC.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is YCGOGBJGRZYTST-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-26-14-9-13(10-15(27-2)18(14)28-3)21-19(25)12-5-4-8-24(11-12)17-7-6-16(20)22-23-17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 94161179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).