N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide

C19H19N3O3 — CID 71972513

IUPACN-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(C)(C)C)nn2)c(=O)oc2ccccc12
InChIInChI=1S/C19H19N3O3/c1-11-12-7-5-6-8-13(12)25-18(24)16(11)17(23)20-15-10-9-14(21-22-15)19(2,3)4/h5-10H,1-4H3,(H,20,22,23)
InChIKeyKXSLBSUJTRZMBJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.44
Rot. Bonds2

About N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide

N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide (PubChem CID 71972513) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide
PubChem CID71972513
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(C)(C)C)nn2)c(=O)oc2ccccc12
InChIInChI=1S/C19H19N3O3/c1-11-12-7-5-6-8-13(12)25-18(24)16(11)17(23)20-15-10-9-14(21-22-15)19(2,3)4/h5-10H,1-4H3,(H,20,22,23)
InChIKeyKXSLBSUJTRZMBJ-UHFFFAOYSA-N
XLogP3.44
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide (CID 71972513) is N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide is Cc1c(C(=O)Nc2ccc(C(C)(C)C)nn2)c(=O)oc2ccccc12.
What is the InChIKey of N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide?
The InChIKey is KXSLBSUJTRZMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-12-7-5-6-8-13(12)25-18(24)16(11)17(23)20-15-10-9-14(21-22-15)19(2,3)4/h5-10H,1-4H3,(H,20,22,23).
What are the key properties of N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide?
N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 71972513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).