N-[6-(butanoylamino)acridin-3-yl]butanamide

C21H23N3O2 — CID 23658666

IUPACN-[6-(butanoylamino)acridin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc2cc3ccc(NC(=O)CCC)cc3nc2c1
InChIInChI=1S/C21H23N3O2/c1-3-5-20(25)22-16-9-7-14-11-15-8-10-17(23-21(26)6-4-2)13-19(15)24-18(14)12-16/h7-13H,3-6H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySCZOEVWSNGKUQM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.87
Rot. Bonds6

About N-[6-(butanoylamino)acridin-3-yl]butanamide

N-[6-(butanoylamino)acridin-3-yl]butanamide (PubChem CID 23658666) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[6-(butanoylamino)acridin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)acridin-3-yl]butanamide
PubChem CID23658666
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[6-(butanoylamino)acridin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc2cc3ccc(NC(=O)CCC)cc3nc2c1
InChIInChI=1S/C21H23N3O2/c1-3-5-20(25)22-16-9-7-14-11-15-8-10-17(23-21(26)6-4-2)13-19(15)24-18(14)12-16/h7-13H,3-6H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySCZOEVWSNGKUQM-UHFFFAOYSA-N
XLogP4.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[6-(butanoylamino)acridin-3-yl]butanamide?
The IUPAC name of N-[6-(butanoylamino)acridin-3-yl]butanamide (CID 23658666) is N-[6-(butanoylamino)acridin-3-yl]butanamide.
What is the SMILES notation for N-[6-(butanoylamino)acridin-3-yl]butanamide?
The canonical SMILES for N-[6-(butanoylamino)acridin-3-yl]butanamide is CCCC(=O)Nc1ccc2cc3ccc(NC(=O)CCC)cc3nc2c1.
What is the InChIKey of N-[6-(butanoylamino)acridin-3-yl]butanamide?
The InChIKey is SCZOEVWSNGKUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-5-20(25)22-16-9-7-14-11-15-8-10-17(23-21(26)6-4-2)13-19(15)24-18(14)12-16/h7-13H,3-6H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[6-(butanoylamino)acridin-3-yl]butanamide?
N-[6-(butanoylamino)acridin-3-yl]butanamide has a molecular weight of 349.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)acridin-3-yl]butanamide is sourced from PubChem (CID 23658666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).