7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide

C20H31N7O2 — CID 118374559

IUPAC7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCCC3)nc(N3CCCC3)nc21)NO
InChIInChI=1S/C20H31N7O2/c28-16(24-29)9-3-1-2-4-14-27-15-21-17-18(25-10-5-6-11-25)22-20(23-19(17)27)26-12-7-8-13-26/h15,29H,1-14H2,(H,24,28)
InChIKeyDVCUEJTVFIDJPN-UHFFFAOYSA-N
MW401.52 g/mol
LogP2.48
Rot. Bonds9

About 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide

7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide (PubChem CID 118374559) has the molecular formula C20H31N7O2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide
PubChem CID118374559
Molecular FormulaC20H31N7O2
Molecular Weight401.52 g/mol
Exact Mass401.25
IUPAC Name7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCCC3)nc(N3CCCC3)nc21)NO
InChIInChI=1S/C20H31N7O2/c28-16(24-29)9-3-1-2-4-14-27-15-21-17-18(25-10-5-6-11-25)22-20(23-19(17)27)26-12-7-8-13-26/h15,29H,1-14H2,(H,24,28)
InChIKeyDVCUEJTVFIDJPN-UHFFFAOYSA-N
XLogP2.48
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-hydroxyheptanamide;7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-[8-(2,6-dimorpholin-4-ylpurin-9-yl)oct-1-en-2-yl]hydroxylamine;N-[8-(2,6-dipyrrolidin-1-ylpurin-9-yl)oct-1-en-2-yl]hydroxylamine;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide
CID 161183298
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide
CID 126580548
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
CID 15016744
2-[6-morpholin-4-yl-2-(pentanoylamino)purin-9-yl]acetic acid
CID 53320439
methyl 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]propanoate
CID 155103782
(E)-3-[3-[[[9-butyl-2-(4-methylpiperazin-1-yl)purin-6-yl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 155546515
3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide
CID 143467207
(E)-N-hydroxy-3-[4-[[(9-methyl-2-piperidin-1-ylpurin-6-yl)amino]methyl]phenyl]prop-2-enamide
CID 155550218
N-hydroxy-4-[3-(7-propan-2-yl-2-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-4-yl)phenoxy]butanamide
CID 118366955
N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide
CID 118366963
N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
CID 118374649

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide?
The IUPAC name of 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide (CID 118374559) is 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide?
The canonical SMILES for 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide is O=C(CCCCCCn1cnc2c(N3CCCC3)nc(N3CCCC3)nc21)NO.
What is the InChIKey of 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide?
The InChIKey is DVCUEJTVFIDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2/c28-16(24-29)9-3-1-2-4-14-27-15-21-17-18(25-10-5-6-11-25)22-20(23-19(17)27)26-12-7-8-13-26/h15,29H,1-14H2,(H,24,28).
What are the key properties of 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide?
7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide has a molecular weight of 401.52 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide is sourced from PubChem (CID 118374559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).