N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide

C20H26N4O3 — CID 91924053

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
SMILESCCn1ncc(N2CCC(NC(=O)c3ccc(OC)cc3C)CC2)cc1=O
InChIInChI=1S/C20H26N4O3/c1-4-24-19(25)12-16(13-21-24)23-9-7-15(8-10-23)22-20(26)18-6-5-17(27-3)11-14(18)2/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,22,26)
InChIKeyGNVNPOIBZMMEEW-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.98
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide (PubChem CID 91924053) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
PubChem CID91924053
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
SMILESCCn1ncc(N2CCC(NC(=O)c3ccc(OC)cc3C)CC2)cc1=O
InChIInChI=1S/C20H26N4O3/c1-4-24-19(25)12-16(13-21-24)23-9-7-15(8-10-23)22-20(26)18-6-5-17(27-3)11-14(18)2/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,22,26)
InChIKeyGNVNPOIBZMMEEW-UHFFFAOYSA-N
XLogP1.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91911769
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 91911776
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide
CID 91911835
2-ethoxy-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
CID 91924055
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
CID 91924069
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 91924080
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
CID 91911806
4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
CID 99741786

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide (CID 91924053) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide is CCn1ncc(N2CCC(NC(=O)c3ccc(OC)cc3C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide?
The InChIKey is GNVNPOIBZMMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-24-19(25)12-16(13-21-24)23-9-7-15(8-10-23)22-20(26)18-6-5-17(27-3)11-14(18)2/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,22,26).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 91924053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).