N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide

C25H27N5O2 — CID 118730871

IUPACN-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide
SMILESCc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3[nH]c12
InChIInChI=1S/C25H27N5O2/c1-16-5-4-6-18-22(16)29-23-19(25(32)27-13-14-30(2)3)7-8-20(21(23)24(18)31)28-15-17-9-11-26-12-10-17/h4-12,28H,13-15H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyXLGUMPXXUZHRQM-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide (PubChem CID 118730871) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide
PubChem CID118730871
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide
SMILESCc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3[nH]c12
InChIInChI=1S/C25H27N5O2/c1-16-5-4-6-18-22(16)29-23-19(25(32)27-13-14-30(2)3)7-8-20(21(23)24(18)31)28-15-17-9-11-26-12-10-17/h4-12,28H,13-15H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyXLGUMPXXUZHRQM-UHFFFAOYSA-N
XLogP3.29
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide
CID 118730875
1-[2-(dimethylamino)ethylamino]-N-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl]-9-oxo-10H-acridine-4-carboxamide
CID 11814469
1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 118730891
1-[bis(pyridin-2-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 118730892
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 59835576
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide
CID 11125305
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701163
(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135603813

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide (CID 118730871) is N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide is Cc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3[nH]c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide?
The InChIKey is XLGUMPXXUZHRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-5-4-6-18-22(16)29-23-19(25(32)27-13-14-30(2)3)7-8-20(21(23)24(18)31)28-15-17-9-11-26-12-10-17/h4-12,28H,13-15H2,1-3H3,(H,27,32)(H,29,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide is sourced from PubChem (CID 118730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).