N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H18N4O4 — CID 110794427

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H18N4O4/c1-9(20)17-11-3-5-13(23-2)10(7-11)8-16-15(22)12-4-6-14(21)19-18-12/h3,5,7H,4,6,8H2,1-2H3,(H,16,22)(H,17,20)(H,19,21)
InChIKeyUCKYBBAVULHLIG-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.54
Rot. Bonds5

About N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110794427) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110794427
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H18N4O4/c1-9(20)17-11-3-5-13(23-2)10(7-11)8-16-15(22)12-4-6-14(21)19-18-12/h3,5,7H,4,6,8H2,1-2H3,(H,16,22)(H,17,20)(H,19,21)
InChIKeyUCKYBBAVULHLIG-UHFFFAOYSA-N
XLogP0.54
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-(4-methoxy-3-propan-2-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792592
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146025493
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794021
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
N-[[2-methoxy-5-(methylamino)phenyl]methyl]acetamide
CID 67557905

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110794427) is N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1ccc(NC(C)=O)cc1CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UCKYBBAVULHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-9(20)17-11-3-5-13(23-2)10(7-11)8-16-15(22)12-4-6-14(21)19-18-12/h3,5,7H,4,6,8H2,1-2H3,(H,16,22)(H,17,20)(H,19,21).
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110794427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).