N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide

C16H17N5O2 — CID 154796478

IUPACN-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide
SMILESCCC(NC(=O)c1ncnc2nc[nH]c12)c1ccccc1OC
InChIInChI=1S/C16H17N5O2/c1-3-11(10-6-4-5-7-12(10)23-2)21-16(22)14-13-15(19-8-17-13)20-9-18-14/h4-9,11H,3H2,1-2H3,(H,21,22)(H,17,18,19,20)
InChIKeyWOGDGSZLSGBIAF-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.24
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide

N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide (PubChem CID 154796478) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide
PubChem CID154796478
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide
SMILESCCC(NC(=O)c1ncnc2nc[nH]c12)c1ccccc1OC
InChIInChI=1S/C16H17N5O2/c1-3-11(10-6-4-5-7-12(10)23-2)21-16(22)14-13-15(19-8-17-13)20-9-18-14/h4-9,11H,3H2,1-2H3,(H,21,22)(H,17,18,19,20)
InChIKeyWOGDGSZLSGBIAF-UHFFFAOYSA-N
XLogP2.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
(3R)-3-(4-bromophenyl)-3-(7H-purine-6-carbonylamino)propanoic acid
CID 176730460
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
CID 154878424
N-[(1R)-1-(2-methoxyphenyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976267
N-[1-(2H-tetrazol-5-yl)ethyl]-7H-purine-6-carboxamide
CID 167821511
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
4-[1-(2-methoxyphenyl)propylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992983
N-[(1S)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-3H-benzimidazole-5-carboxamide
CID 52506294
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide (CID 154796478) is N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide is CCC(NC(=O)c1ncnc2nc[nH]c12)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide?
The InChIKey is WOGDGSZLSGBIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-11(10-6-4-5-7-12(10)23-2)21-16(22)14-13-15(19-8-17-13)20-9-18-14/h4-9,11H,3H2,1-2H3,(H,21,22)(H,17,18,19,20).
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide?
N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]-7H-purine-6-carboxamide is sourced from PubChem (CID 154796478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).