(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide

C21H28N4O — CID 95055554

IUPAC(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC(C)C)C3)nn2)cc1C
InChIInChI=1S/C21H28N4O/c1-14(2)22-21(26)18-6-5-11-25(13-18)20-10-9-19(23-24-20)17-8-7-15(3)16(4)12-17/h7-10,12,14,18H,5-6,11,13H2,1-4H3,(H,22,26)/t18-/m0/s1
InChIKeyRSTBRTAYDBKRFR-SFHVURJKSA-N
MW352.48 g/mol
LogP3.50
Rot. Bonds4

About (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 95055554) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID95055554
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC(C)C)C3)nn2)cc1C
InChIInChI=1S/C21H28N4O/c1-14(2)22-21(26)18-6-5-11-25(13-18)20-10-9-19(23-24-20)17-8-7-15(3)16(4)12-17/h7-10,12,14,18H,5-6,11,13H2,1-4H3,(H,22,26)/t18-/m0/s1
InChIKeyRSTBRTAYDBKRFR-SFHVURJKSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53056955
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 53056954
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 97414234
[(3R)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 95795097
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
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
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
N-[1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785680
(3S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889710

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 95055554) is (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide is Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC(C)C)C3)nn2)cc1C.
What is the InChIKey of (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is RSTBRTAYDBKRFR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14(2)22-21(26)18-6-5-11-25(13-18)20-10-9-19(23-24-20)17-8-7-15(3)16(4)12-17/h7-10,12,14,18H,5-6,11,13H2,1-4H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95055554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).