3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide

C15H13N3O2 — CID 134802663

IUPAC3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(-c2ccc(OC)nn2)c1
InChIInChI=1S/C15H13N3O2/c1-3-9-16-15(19)12-6-4-5-11(10-12)13-7-8-14(20-2)18-17-13/h1,4-8,10H,9H2,2H3,(H,16,19)
InChIKeyDIKCOGWBSBWYLH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.52
Rot. Bonds4

About 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide

3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide (PubChem CID 134802663) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
PubChem CID134802663
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(-c2ccc(OC)nn2)c1
InChIInChI=1S/C15H13N3O2/c1-3-9-16-15(19)12-6-4-5-11(10-12)13-7-8-14(20-2)18-17-13/h1,4-8,10H,9H2,2H3,(H,16,19)
InChIKeyDIKCOGWBSBWYLH-UHFFFAOYSA-N
XLogP1.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
CID 141074265
3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 118763050
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570
N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
CID 134803411
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 170510965
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide (CID 134802663) is 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(-c2ccc(OC)nn2)c1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide?
The InChIKey is DIKCOGWBSBWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-3-9-16-15(19)12-6-4-5-11(10-12)13-7-8-14(20-2)18-17-13/h1,4-8,10H,9H2,2H3,(H,16,19).
What are the key properties of 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide?
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide has a molecular weight of 267.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 134802663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).