N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide

C20H25N5O2 — CID 119071436

IUPACN-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2cccc(-c3ccc(C)nn3)c2)CC1
InChIInChI=1S/C20H25N5O2/c1-3-21-20(27)25-11-9-17(10-12-25)22-19(26)16-6-4-5-15(13-16)18-8-7-14(2)23-24-18/h4-8,13,17H,3,9-12H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyXMYJLIWTJIRXOQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.38
Rot. Bonds4

About N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide

N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide (PubChem CID 119071436) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide
PubChem CID119071436
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2cccc(-c3ccc(C)nn3)c2)CC1
InChIInChI=1S/C20H25N5O2/c1-3-21-20(27)25-11-9-17(10-12-25)22-19(26)16-6-4-5-15(13-16)18-8-7-14(2)23-24-18/h4-8,13,17H,3,9-12H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyXMYJLIWTJIRXOQ-UHFFFAOYSA-N
XLogP2.38
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
CID 122557673
3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
CID 110819130
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 110355797
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide
CID 119065865
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
CID 134801985
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800868

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide (CID 119071436) is N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)c2cccc(-c3ccc(C)nn3)c2)CC1.
What is the InChIKey of N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide?
The InChIKey is XMYJLIWTJIRXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-21-20(27)25-11-9-17(10-12-25)22-19(26)16-6-4-5-15(13-16)18-8-7-14(2)23-24-18/h4-8,13,17H,3,9-12H2,1-2H3,(H,21,27)(H,22,26).
What are the key properties of N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide?
N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 119071436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).