2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide

C23H24N4O2 — CID 53044114

IUPAC2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)NCCc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C23H24N4O2/c1-3-19(22(28)24-14-13-16-9-5-4-6-10-16)27-20-12-8-7-11-17(20)18-15-25-26(2)23(29)21(18)27/h4-12,15,19H,3,13-14H2,1-2H3,(H,24,28)
InChIKeyRPDPMLDGMIDQLL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.20
Rot. Bonds6

About 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide

2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide (PubChem CID 53044114) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide
PubChem CID53044114
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)NCCc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C23H24N4O2/c1-3-19(22(28)24-14-13-16-9-5-4-6-10-16)27-20-12-8-7-11-17(20)18-15-25-26(2)23(29)21(18)27/h4-12,15,19H,3,13-14H2,1-2H3,(H,24,28)
InChIKeyRPDPMLDGMIDQLL-UHFFFAOYSA-N
XLogP3.20
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide (CID 53044114) is 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide is CCC(C(=O)NCCc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is RPDPMLDGMIDQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-19(22(28)24-14-13-16-9-5-4-6-10-16)27-20-12-8-7-11-17(20)18-15-25-26(2)23(29)21(18)27/h4-12,15,19H,3,13-14H2,1-2H3,(H,24,28).
What are the key properties of 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide?
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 388.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 53044114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).