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

C22H30N4O — CID 93055757

IUPAC(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCN(C)C(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1
InChIInChI=1S/C22H30N4O/c1-4-5-14-25(3)22(27)19-7-6-15-26(16-19)21-13-12-20(23-24-21)18-10-8-17(2)9-11-18/h8-13,19H,4-7,14-16H2,1-3H3/t19-/m0/s1
InChIKeyFWFAYZOONMVWCU-IBGZPJMESA-N
MW366.51 g/mol
LogP3.93
Rot. Bonds6

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

(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 93055757) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID93055757
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCN(C)C(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1
InChIInChI=1S/C22H30N4O/c1-4-5-14-25(3)22(27)19-7-6-15-26(16-19)21-13-12-20(23-24-21)18-10-8-17(2)9-11-18/h8-13,19H,4-7,14-16H2,1-3H3/t19-/m0/s1
InChIKeyFWFAYZOONMVWCU-IBGZPJMESA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide
CID 67873605
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055782
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070904

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 93055757) is (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is CCCCN(C)C(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1.
What is the InChIKey of (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is FWFAYZOONMVWCU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-5-14-25(3)22(27)19-7-6-15-26(16-19)21-13-12-20(23-24-21)18-10-8-17(2)9-11-18/h8-13,19H,4-7,14-16H2,1-3H3/t19-/m0/s1.
What are the key properties of (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93055757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).