N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide

C16H19N3O2 — CID 138494450

IUPACN-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-4-17-15(20)13-6-5-12(10(2)7-13)9-14-8-11(3)18-19-16(14)21/h5-8H,4,9H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyKLSFJXYKUFCPKA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds4

About N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide

N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide (PubChem CID 138494450) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide
PubChem CID138494450
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-4-17-15(20)13-6-5-12(10(2)7-13)9-14-8-11(3)18-19-16(14)21/h5-8H,4,9H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyKLSFJXYKUFCPKA-UHFFFAOYSA-N
XLogP1.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide?
The IUPAC name of N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide (CID 138494450) is N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide is CCNC(=O)c1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide?
The InChIKey is KLSFJXYKUFCPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-17-15(20)13-6-5-12(10(2)7-13)9-14-8-11(3)18-19-16(14)21/h5-8H,4,9H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide?
N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide is sourced from PubChem (CID 138494450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).