N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

C16H17N3O3 — CID 91626560

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H17N3O3/c1-19(16(21)14-6-7-15(20)18-17-14)9-13-8-11-4-2-3-5-12(11)10-22-13/h2-7,13H,8-10H2,1H3,(H,18,20)
InChIKeyNZQQBDPECJROMS-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.98
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 91626560) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID91626560
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H17N3O3/c1-19(16(21)14-6-7-15(20)18-17-14)9-13-8-11-4-2-3-5-12(11)10-22-13/h2-7,13H,8-10H2,1H3,(H,18,20)
InChIKeyNZQQBDPECJROMS-UHFFFAOYSA-N
XLogP0.98
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 91626560) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CN(CC1Cc2ccccc2CO1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NZQQBDPECJROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19(16(21)14-6-7-15(20)18-17-14)9-13-8-11-4-2-3-5-12(11)10-22-13/h2-7,13H,8-10H2,1H3,(H,18,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 91626560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).