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

C15H15N3O3 — CID 110750957

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)[nH]n1)C1CCOc2ccccc21
InChIInChI=1S/C15H15N3O3/c1-18(15(20)11-6-7-14(19)17-16-11)12-8-9-21-13-5-3-2-4-10(12)13/h2-7,12H,8-9H2,1H3,(H,17,19)
InChIKeyQPONMQQDAAYDKF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds2

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

N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110750957) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110750957
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)[nH]n1)C1CCOc2ccccc21
InChIInChI=1S/C15H15N3O3/c1-18(15(20)11-6-7-14(19)17-16-11)12-8-9-21-13-5-3-2-4-10(12)13/h2-7,12H,8-9H2,1H3,(H,17,19)
InChIKeyQPONMQQDAAYDKF-UHFFFAOYSA-N
XLogP1.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
CID 110751156
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162
N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 136537657
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103612541
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110750956
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 110750957) is N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)[nH]n1)C1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QPONMQQDAAYDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(15(20)11-6-7-14(19)17-16-11)12-8-9-21-13-5-3-2-4-10(12)13/h2-7,12H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110750957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).