N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C19H23N5O2 — CID 121118445

IUPACN-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN(c3ccc(C)nn3)C2)c1
InChIInChI=1S/C19H23N5O2/c1-13-8-9-18(23-22-13)24-10-4-5-15(12-24)19(26)21-17-7-3-6-16(11-17)20-14(2)25/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyTWLDCBFKIQSYSW-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.60
Rot. Bonds4

About N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118445) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118445
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN(c3ccc(C)nn3)C2)c1
InChIInChI=1S/C19H23N5O2/c1-13-8-9-18(23-22-13)24-10-4-5-15(12-24)19(26)21-17-7-3-6-16(11-17)20-14(2)25/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyTWLDCBFKIQSYSW-UHFFFAOYSA-N
XLogP2.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118516
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90514711
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 90514705
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(5-methyl-1H-pyrazol-3-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118676
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118445) is N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCCN(c3ccc(C)nn3)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is TWLDCBFKIQSYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-8-9-18(23-22-13)24-10-4-5-15(12-24)19(26)21-17-7-3-6-16(11-17)20-14(2)25/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).