1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C22H25N3O3 — CID 86941799

IUPAC1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C22H25N3O3/c1-16(13-18-9-6-10-19(14-18)28-2)23-22(27)20-11-12-21(26)25(24-20)15-17-7-4-3-5-8-17/h3-10,14,16H,11-13,15H2,1-2H3,(H,23,27)
InChIKeyUGXFCDDPUIINRV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.92
Rot. Bonds7

About 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 86941799) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID86941799
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C22H25N3O3/c1-16(13-18-9-6-10-19(14-18)28-2)23-22(27)20-11-12-21(26)25(24-20)15-17-7-4-3-5-8-17/h3-10,14,16H,11-13,15H2,1-2H3,(H,23,27)
InChIKeyUGXFCDDPUIINRV-UHFFFAOYSA-N
XLogP2.92
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120701993
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 86941781
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55738993
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55783925
N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide
CID 86943592
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 86941799) is 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1cccc(CC(C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1.
What is the InChIKey of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is UGXFCDDPUIINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(13-18-9-6-10-19(14-18)28-2)23-22(27)20-11-12-21(26)25(24-20)15-17-7-4-3-5-8-17/h3-10,14,16H,11-13,15H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 86941799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).