N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

C19H19N5O3 — CID 121059005

IUPACN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1ccc(=O)n(CCNC(=O)Cn2cnc(-c3ccccc3)cc2=O)n1
InChIInChI=1S/C19H19N5O3/c1-14-7-8-18(26)24(22-14)10-9-20-17(25)12-23-13-21-16(11-19(23)27)15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,20,25)
InChIKeyPDRQOIRCSCSXNS-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.59
Rot. Bonds6

About N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 121059005) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID121059005
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1ccc(=O)n(CCNC(=O)Cn2cnc(-c3ccccc3)cc2=O)n1
InChIInChI=1S/C19H19N5O3/c1-14-7-8-18(26)24(22-14)10-9-20-17(25)12-23-13-21-16(11-19(23)27)15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,20,25)
InChIKeyPDRQOIRCSCSXNS-UHFFFAOYSA-N
XLogP0.59
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121064460
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261950
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063696
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121064463

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 121059005) is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is Cc1ccc(=O)n(CCNC(=O)Cn2cnc(-c3ccccc3)cc2=O)n1.
What is the InChIKey of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is PDRQOIRCSCSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-14-7-8-18(26)24(22-14)10-9-20-17(25)12-23-13-21-16(11-19(23)27)15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,20,25).
What are the key properties of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121059005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).