N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

C16H17N3O3 — CID 49016255

IUPACN-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESCC(NC(=O)c1cccc(-n2[nH]c(=O)ccc2=O)c1)C1CC1
InChIInChI=1S/C16H17N3O3/c1-10(11-5-6-11)17-16(22)12-3-2-4-13(9-12)19-15(21)8-7-14(20)18-19/h2-4,7-11H,5-6H2,1H3,(H,17,22)(H,18,20)
InChIKeySLCKBYFWVXYWQX-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.05
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (PubChem CID 49016255) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
PubChem CID49016255
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESCC(NC(=O)c1cccc(-n2[nH]c(=O)ccc2=O)c1)C1CC1
InChIInChI=1S/C16H17N3O3/c1-10(11-5-6-11)17-16(22)12-3-2-4-13(9-12)19-15(21)8-7-14(20)18-19/h2-4,7-11H,5-6H2,1H3,(H,17,22)(H,18,20)
InChIKeySLCKBYFWVXYWQX-UHFFFAOYSA-N
XLogP1.05
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 97210915
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 86873608
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86873553
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
(1-cyclopropylcyclopropyl) 3-(3,6-dioxo-1H-pyridazin-2-yl)benzoate
CID 91644207
3,4-dichloro-N-[2-[[3-(3,6-dioxo-1H-pyridazin-2-yl)benzoyl]amino]ethyl]benzamide
CID 86873544
[(1S)-1-cyano-2-methylpropyl] 3-(3,6-dioxo-1H-pyridazin-2-yl)benzoate
CID 99590270
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 86896783
N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 49017160

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (CID 49016255) is N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is CC(NC(=O)c1cccc(-n2[nH]c(=O)ccc2=O)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The InChIKey is SLCKBYFWVXYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(11-5-6-11)17-16(22)12-3-2-4-13(9-12)19-15(21)8-7-14(20)18-19/h2-4,7-11H,5-6H2,1H3,(H,17,22)(H,18,20).
What are the key properties of N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is sourced from PubChem (CID 49016255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).