N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

C22H28N4O2 — CID 126918086

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)18-9-10-19(24-23-18)26-13-16(14-26)25(4)21(27)20-17-8-6-5-7-15(17)11-12-28-20/h5-10,16,20H,11-14H2,1-4H3
InChIKeyXLQCACXVNNAATP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 126918086) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID126918086
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)18-9-10-19(24-23-18)26-13-16(14-26)25(4)21(27)20-17-8-6-5-7-15(17)11-12-28-20/h5-10,16,20H,11-14H2,1-4H3
InChIKeyXLQCACXVNNAATP-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 126918086) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is CN(C(=O)C1OCCc2ccccc21)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is XLQCACXVNNAATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)18-9-10-19(24-23-18)26-13-16(14-26)25(4)21(27)20-17-8-6-5-7-15(17)11-12-28-20/h5-10,16,20H,11-14H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 126918086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).