N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide

C21H18N4O2 — CID 164628085

IUPACN-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide
SMILESNCCOc1ncccc1NC(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H18N4O2/c22-11-13-27-21-18(10-5-12-23-21)25-20(26)19-14-6-1-3-8-16(14)24-17-9-4-2-7-15(17)19/h1-10,12H,11,13,22H2,(H,25,26)
InChIKeyUFVHYLINCAZGHG-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide

N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide (PubChem CID 164628085) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide
PubChem CID164628085
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide
SMILESNCCOc1ncccc1NC(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H18N4O2/c22-11-13-27-21-18(10-5-12-23-21)25-20(26)19-14-6-1-3-8-16(14)24-17-9-4-2-7-15(17)19/h1-10,12H,11,13,22H2,(H,25,26)
InChIKeyUFVHYLINCAZGHG-UHFFFAOYSA-N
XLogP3.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide (CID 164628085) is N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide is NCCOc1ncccc1NC(=O)c1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide?
The InChIKey is UFVHYLINCAZGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-11-13-27-21-18(10-5-12-23-21)25-20(26)19-14-6-1-3-8-16(14)24-17-9-4-2-7-15(17)19/h1-10,12H,11,13,22H2,(H,25,26).
What are the key properties of N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide?
N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)-3-pyridinyl]acridine-9-carboxamide is sourced from PubChem (CID 164628085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).