(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C20H24N4O — CID 93055724

IUPAC(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)cc1
InChIInChI=1S/C20H24N4O/c1-14-4-6-15(7-5-14)18-10-11-19(23-22-18)24-12-2-3-16(13-24)20(25)21-17-8-9-17/h4-7,10-11,16-17H,2-3,8-9,12-13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyYJYOEPKEWWGXRE-INIZCTEOSA-N
MW336.44 g/mol
LogP2.95
Rot. Bonds4

About (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 93055724) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID93055724
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)cc1
InChIInChI=1S/C20H24N4O/c1-14-4-6-15(7-5-14)18-10-11-19(23-22-18)24-12-2-3-16(13-24)20(25)21-17-8-9-17/h4-7,10-11,16-17H,2-3,8-9,12-13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyYJYOEPKEWWGXRE-INIZCTEOSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 92866952
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055762

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 93055724) is (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)cc1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is YJYOEPKEWWGXRE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-4-6-15(7-5-14)18-10-11-19(23-22-18)24-12-2-3-16(13-24)20(25)21-17-8-9-17/h4-7,10-11,16-17H,2-3,8-9,12-13H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93055724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).