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

C23H24N4O3 — CID 53055069

IUPACN-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)cc1
InChIInChI=1S/C23H24N4O3/c1-4-30-17-11-9-16(10-12-17)13-24-22(28)15(2)27-20-8-6-5-7-18(20)19-14-25-26(3)23(29)21(19)27/h5-12,14-15H,4,13H2,1-3H3,(H,24,28)
InChIKeyVKUCDMTUCBEKKG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.16
Rot. Bonds6

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

N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide (PubChem CID 53055069) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
PubChem CID53055069
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)cc1
InChIInChI=1S/C23H24N4O3/c1-4-30-17-11-9-16(10-12-17)13-24-22(28)15(2)27-20-8-6-5-7-18(20)19-14-25-26(3)23(29)21(19)27/h5-12,14-15H,4,13H2,1-3H3,(H,24,28)
InChIKeyVKUCDMTUCBEKKG-UHFFFAOYSA-N
XLogP3.16
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide (CID 53055069) is N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide is CCOc1ccc(CNC(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide?
The InChIKey is VKUCDMTUCBEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-30-17-11-9-16(10-12-17)13-24-22(28)15(2)27-20-8-6-5-7-18(20)19-14-25-26(3)23(29)21(19)27/h5-12,14-15H,4,13H2,1-3H3,(H,24,28).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide?
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide is sourced from PubChem (CID 53055069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).