N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide

C15H18N4O2 — CID 70317540

IUPACN-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide
SMILESCCCNc1cnn(-c2ccccc2)c(=O)c1NC(C)=O
InChIInChI=1S/C15H18N4O2/c1-3-9-16-13-10-17-19(12-7-5-4-6-8-12)15(21)14(13)18-11(2)20/h4-8,10,16H,3,9H2,1-2H3,(H,18,20)
InChIKeyPEOQVWYVEIMLOL-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.01
Rot. Bonds5

About N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide

N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide (PubChem CID 70317540) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide
PubChem CID70317540
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide
SMILESCCCNc1cnn(-c2ccccc2)c(=O)c1NC(C)=O
InChIInChI=1S/C15H18N4O2/c1-3-9-16-13-10-17-19(12-7-5-4-6-8-12)15(21)14(13)18-11(2)20/h4-8,10,16H,3,9H2,1-2H3,(H,18,20)
InChIKeyPEOQVWYVEIMLOL-UHFFFAOYSA-N
XLogP2.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(3-hydroxypropylamino)-2-phenylpyridazin-3-one
CID 2008168
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
methyl 4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoate
CID 47020590
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide?
The IUPAC name of N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide (CID 70317540) is N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide.
What is the SMILES notation for N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide?
The canonical SMILES for N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide is CCCNc1cnn(-c2ccccc2)c(=O)c1NC(C)=O.
What is the InChIKey of N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide?
The InChIKey is PEOQVWYVEIMLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-9-16-13-10-17-19(12-7-5-4-6-8-12)15(21)14(13)18-11(2)20/h4-8,10,16H,3,9H2,1-2H3,(H,18,20).
What are the key properties of N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide?
N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide is sourced from PubChem (CID 70317540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).