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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Related Compounds

N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119642890
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 136512991
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 91644124
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
CID 91947735
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718

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).