N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide

C22H25N7O2 — CID 117080069

IUPACN-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2nc(NCCCN3CCCC3=O)c3[nH]cnc3n2)cc1
InChIInChI=1S/C22H25N7O2/c30-17-3-1-11-29(17)12-2-10-23-20-18-21(25-13-24-18)28-19(27-20)14-4-6-15(7-5-14)22(31)26-16-8-9-16/h4-7,13,16H,1-3,8-12H2,(H,26,31)(H2,23,24,25,27,28)
InChIKeyNAJBWAZTXKRSDL-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.34
Rot. Bonds8

About N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide

N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide (PubChem CID 117080069) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
PubChem CID117080069
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2nc(NCCCN3CCCC3=O)c3[nH]cnc3n2)cc1
InChIInChI=1S/C22H25N7O2/c30-17-3-1-11-29(17)12-2-10-23-20-18-21(25-13-24-18)28-19(27-20)14-4-6-15(7-5-14)22(31)26-16-8-9-16/h4-7,13,16H,1-3,8-12H2,(H,26,31)(H2,23,24,25,27,28)
InChIKeyNAJBWAZTXKRSDL-UHFFFAOYSA-N
XLogP2.34
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]benzamide
CID 117092000
N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379600
N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide
CID 117081710
N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
CID 117079484
1-[3-[[2-(pyrimidin-2-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080695
1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117078992
1-[3-[[2-[(1-methylbenzimidazol-2-yl)amino]-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081234
1-[3-[[2-(3,4,5-trimethoxyanilino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080908
4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-9-phenylpurin-2-yl]benzamide
CID 117082227
1-[3-[[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-9-propan-2-ylpurin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081557
N-cyclopropyl-4-[(7H-purin-6-ylamino)methyl]benzamide
CID 47072892
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide (CID 117080069) is N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide is O=C(NC1CC1)c1ccc(-c2nc(NCCCN3CCCC3=O)c3[nH]cnc3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide?
The InChIKey is NAJBWAZTXKRSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c30-17-3-1-11-29(17)12-2-10-23-20-18-21(25-13-24-18)28-19(27-20)14-4-6-15(7-5-14)22(31)26-16-8-9-16/h4-7,13,16H,1-3,8-12H2,(H,26,31)(H2,23,24,25,27,28).
What are the key properties of N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide?
N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide is sourced from PubChem (CID 117080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).