1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide

C30H29N5O3 — CID 118730891

IUPAC1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCOCCNC(=O)c1ccc(N(Cc2ccccn2)Cc2ccccn2)c2c(=O)c3cccc(C)c3[nH]c12
InChIInChI=1S/C30H29N5O3/c1-20-8-7-11-23-27(20)34-28-24(30(37)33-16-17-38-2)12-13-25(26(28)29(23)36)35(18-21-9-3-5-14-31-21)19-22-10-4-6-15-32-22/h3-15H,16-19H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyCUTSHUYZNAVAGO-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.36
Rot. Bonds9

About 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide

1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide (PubChem CID 118730891) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
PubChem CID118730891
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCOCCNC(=O)c1ccc(N(Cc2ccccn2)Cc2ccccn2)c2c(=O)c3cccc(C)c3[nH]c12
InChIInChI=1S/C30H29N5O3/c1-20-8-7-11-23-27(20)34-28-24(30(37)33-16-17-38-2)12-13-25(26(28)29(23)36)35(18-21-9-3-5-14-31-21)19-22-10-4-6-15-32-22/h3-15H,16-19H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyCUTSHUYZNAVAGO-UHFFFAOYSA-N
XLogP4.36
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide
CID 118730875
1-[bis(pyridin-2-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 118730892
N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide
CID 118730871
N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 59835576
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate
CID 175384871
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
N-cyclopropyl-2-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)acetamide
CID 79281792
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829

Frequently Asked Questions

What is the IUPAC name of 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide (CID 118730891) is 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide is COCCNC(=O)c1ccc(N(Cc2ccccn2)Cc2ccccn2)c2c(=O)c3cccc(C)c3[nH]c12.
What is the InChIKey of 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is CUTSHUYZNAVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-20-8-7-11-23-27(20)34-28-24(30(37)33-16-17-38-2)12-13-25(26(28)29(23)36)35(18-21-9-3-5-14-31-21)19-22-10-4-6-15-32-22/h3-15H,16-19H2,1-2H3,(H,33,37)(H,34,36).
What are the key properties of 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 118730891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).