N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide

C35H39N5O2 — CID 52943836

IUPACN-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(NCCCCCCNC(=O)c3cccc4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C35H39N5O2/c1-40(2)23-22-38-34(41)26-18-19-30-32(24-26)39-31-17-8-7-15-29(31)33(30)36-20-9-3-4-10-21-37-35(42)28-16-11-13-25-12-5-6-14-27(25)28/h5-8,11-19,24H,3-4,9-10,20-23H2,1-2H3,(H,36,39)(H,37,42)(H,38,41)
InChIKeyNUWYXQPHWXKRFP-UHFFFAOYSA-N
MW561.73 g/mol
LogP6.23
Rot. Bonds13

About N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide (PubChem CID 52943836) has the molecular formula C35H39N5O2 and a molecular weight of 561.73 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide
PubChem CID52943836
Molecular FormulaC35H39N5O2
Molecular Weight561.73 g/mol
Exact Mass561.31
IUPAC NameN-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(NCCCCCCNC(=O)c3cccc4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C35H39N5O2/c1-40(2)23-22-38-34(41)26-18-19-30-32(24-26)39-31-17-8-7-15-29(31)33(30)36-20-9-3-4-10-21-37-35(42)28-16-11-13-25-12-5-6-14-27(25)28/h5-8,11-19,24H,3-4,9-10,20-23H2,1-2H3,(H,36,39)(H,37,42)(H,38,41)
InChIKeyNUWYXQPHWXKRFP-UHFFFAOYSA-N
XLogP6.23
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
CID 90667505
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 91058936

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide (CID 52943836) is N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide is CN(C)CCNC(=O)c1ccc2c(NCCCCCCNC(=O)c3cccc4ccccc34)c3ccccc3nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide?
The InChIKey is NUWYXQPHWXKRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O2/c1-40(2)23-22-38-34(41)26-18-19-30-32(24-26)39-31-17-8-7-15-29(31)33(30)36-20-9-3-4-10-21-37-35(42)28-16-11-13-25-12-5-6-14-27(25)28/h5-8,11-19,24H,3-4,9-10,20-23H2,1-2H3,(H,36,39)(H,37,42)(H,38,41).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide has a molecular weight of 561.73 g/mol, XLogP of 6.23, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-[6-(naphthalene-1-carbonylamino)hexylamino]acridine-3-carboxamide is sourced from PubChem (CID 52943836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).