N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C27H23N3O3 — CID 108734133

IUPACN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1c(-c3ccccc3)c(-c3ccccc3)n[nH]c1=O)CCO2
InChIInChI=1S/C27H23N3O3/c1-17-12-13-22-20(16-17)21(14-15-33-22)28-26(31)24-23(18-8-4-2-5-9-18)25(29-30-27(24)32)19-10-6-3-7-11-19/h2-13,16,21H,14-15H2,1H3,(H,28,31)(H,30,32)
InChIKeyQMTFDEDUTSOESI-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.67
Rot. Bonds4

About N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108734133) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108734133
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1c(-c3ccccc3)c(-c3ccccc3)n[nH]c1=O)CCO2
InChIInChI=1S/C27H23N3O3/c1-17-12-13-22-20(16-17)21(14-15-33-22)28-26(31)24-23(18-8-4-2-5-9-18)25(29-30-27(24)32)19-10-6-3-7-11-19/h2-13,16,21H,14-15H2,1H3,(H,28,31)(H,30,32)
InChIKeyQMTFDEDUTSOESI-UHFFFAOYSA-N
XLogP4.67
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
N-(2-oxaspiro[3.5]nonan-7-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333094
N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333116
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
2-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-nitrobenzamide
CID 108734181
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
N-[6-(3-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 172671769
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 172670199
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108734133) is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is Cc1ccc2c(c1)C(NC(=O)c1c(-c3ccccc3)c(-c3ccccc3)n[nH]c1=O)CCO2.
What is the InChIKey of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is QMTFDEDUTSOESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-17-12-13-22-20(16-17)21(14-15-33-22)28-26(31)24-23(18-8-4-2-5-9-18)25(29-30-27(24)32)19-10-6-3-7-11-19/h2-13,16,21H,14-15H2,1H3,(H,28,31)(H,30,32).
What are the key properties of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108734133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).