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

C16H17N3O4 — CID 108742967

IUPACN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(NC(=O)C3=NNC(=O)CC3)ccc2O1
InChIInChI=1S/C16H17N3O4/c1-16(2)8-12(20)10-7-9(3-5-13(10)23-16)17-15(22)11-4-6-14(21)19-18-11/h3,5,7H,4,6,8H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyNMICWOIOTZLIOH-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.63
Rot. Bonds2

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

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 108742967) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID108742967
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(NC(=O)C3=NNC(=O)CC3)ccc2O1
InChIInChI=1S/C16H17N3O4/c1-16(2)8-12(20)10-7-9(3-5-13(10)23-16)17-15(22)11-4-6-14(21)19-18-11/h3,5,7H,4,6,8H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyNMICWOIOTZLIOH-UHFFFAOYSA-N
XLogP1.63
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 108742967) is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC1(C)CC(=O)c2cc(NC(=O)C3=NNC(=O)CC3)ccc2O1.
What is the InChIKey of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is NMICWOIOTZLIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-16(2)8-12(20)10-7-9(3-5-13(10)23-16)17-15(22)11-4-6-14(21)19-18-11/h3,5,7H,4,6,8H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108742967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).