N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide

C14H18N8O — CID 42536499

IUPACN-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)NCCCn1ccnc1
InChIInChI=1S/C14H18N8O/c23-11(16-3-1-6-22-7-5-15-10-22)2-4-17-13-12-14(19-8-18-12)21-9-20-13/h5,7-10H,1-4,6H2,(H,16,23)(H2,17,18,19,20,21)
InChIKeyPNXSCADVSANWMX-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.56
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide

N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide (PubChem CID 42536499) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
PubChem CID42536499
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)NCCCn1ccnc1
InChIInChI=1S/C14H18N8O/c23-11(16-3-1-6-22-7-5-15-10-22)2-4-17-13-12-14(19-8-18-12)21-9-20-13/h5,7-10H,1-4,6H2,(H,16,23)(H2,17,18,19,20,21)
InChIKeyPNXSCADVSANWMX-UHFFFAOYSA-N
XLogP0.56
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
6-N-(4-imidazol-1-ylbutyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784854
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
CID 113412966
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
1-(3-chloropropyl)-3-(7H-purin-6-yl)urea
CID 71487244

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide (CID 42536499) is N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide is O=C(CCNc1ncnc2nc[nH]c12)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide?
The InChIKey is PNXSCADVSANWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c23-11(16-3-1-6-22-7-5-15-10-22)2-4-17-13-12-14(19-8-18-12)21-9-20-13/h5,7-10H,1-4,6H2,(H,16,23)(H2,17,18,19,20,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide?
N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide has a molecular weight of 314.35 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide is sourced from PubChem (CID 42536499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).