N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide

C28H35N5O2 — CID 59868948

IUPACN-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
InChIInChI=1S/C28H35N5O2/c1-20-23-8-6-21(29-27(34)10-16-32-12-2-3-13-32)18-25(23)31-26-19-22(7-9-24(20)26)30-28(35)11-17-33-14-4-5-15-33/h6-9,18-19H,2-5,10-17H2,1H3,(H,29,34)(H,30,35)
InChIKeySKEWOYGOYPBVJP-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.55
Rot. Bonds8

About N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide

N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 59868948) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID59868948
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC NameN-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
InChIInChI=1S/C28H35N5O2/c1-20-23-8-6-21(29-27(34)10-16-32-12-2-3-13-32)18-25(23)31-26-19-22(7-9-24(20)26)30-28(35)11-17-33-14-4-5-15-33/h6-9,18-19H,2-5,10-17H2,1H3,(H,29,34)(H,30,35)
InChIKeySKEWOYGOYPBVJP-UHFFFAOYSA-N
XLogP4.55
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.55
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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Related Compounds

N-[9-(cycloheptylamino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 10120705
N-[9-(4-bromoanilino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 163184703
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-[10,13-dimethyl-14-(3-pyrrolidin-1-ylpropanoyl)-2,10,13,14-tetrazatetracyclo[13.3.1.03,8.09,18]nonadeca-1,3(8),4,6,9(18),15(19),16-heptaen-5-yl]-3-pyrrolidin-1-ylpropanamide
CID 21074095
N'-[4-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]phenyl]-N-[2-(diethylamino)ethyl]hexanediamide
CID 10350345
N-[6-[3-[butyl(methyl)amino]propanoylamino]-9-[2-(dimethylamino)ethylamino]acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 142109476
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
2-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]benzoic acid;tris(2,2,2-trifluoroacetic acid)
CID 25198829
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[9-(3-aminoanilino)-7-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 10120542

Frequently Asked Questions

What is the IUPAC name of N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide (CID 59868948) is N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide is Cc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12.
What is the InChIKey of N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is SKEWOYGOYPBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-20-23-8-6-21(29-27(34)10-16-32-12-2-3-13-32)18-25(23)31-26-19-22(7-9-24(20)26)30-28(35)11-17-33-14-4-5-15-33/h6-9,18-19H,2-5,10-17H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide?
N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 473.62 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 59868948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).