N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine

C16H19N7O5 — CID 175045440

IUPACN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12.O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccnc1
InChIInChI=1S/C11H14N2O5.C5H5N5/c14-5-7-8(15)9(16)11(18-7)13-10(17)6-2-1-3-12-4-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-4,7-9,11,14-16H,5H2,(H,13,17);1-2H,(H3,6,7,8,9,10)/t7-,8-,9-,11-;/m1./s1
InChIKeyRZDZCVJKDDQQMG-IVOJBTPCSA-N
MW389.37 g/mol
LogP-1.81
Rot. Bonds3

About N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine

N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine (PubChem CID 175045440) has the molecular formula C16H19N7O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine
PubChem CID175045440
Molecular FormulaC16H19N7O5
Molecular Weight389.37 g/mol
Exact Mass389.14
IUPAC NameN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12.O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccnc1
InChIInChI=1S/C11H14N2O5.C5H5N5/c14-5-7-8(15)9(16)11(18-7)13-10(17)6-2-1-3-12-4-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-4,7-9,11,14-16H,5H2,(H,13,17);1-2H,(H3,6,7,8,9,10)/t7-,8-,9-,11-;/m1./s1
InChIKeyRZDZCVJKDDQQMG-IVOJBTPCSA-N
XLogP-1.81
TPSA192.39 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 5-1.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

N-acetylpyridine-3-carboxamide;7H-purin-6-amine
CID 66746855
methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
N'-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
CID 7378080
hexane-1,2,3,4,5,6-hexol;7H-purin-6-amine;pyridine-3-carboxamide
CID 68901215
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;7H-purin-6-amine;pyridine-3-carboxamide
CID 162030735
N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide
CID 66599796
N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 101008642
benzamide;7H-purin-6-amine
CID 66705736
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;7H-purin-6-amine
CID 141053118
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;1-pyridin-3-ylethanone
CID 70497378
(3S,4S,5R)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 23624109
(2S,3R,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54431924

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine?
The IUPAC name of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine (CID 175045440) is N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine.
What is the SMILES notation for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine?
The canonical SMILES for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine is Nc1ncnc2nc[nH]c12.O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccnc1.
What is the InChIKey of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine?
The InChIKey is RZDZCVJKDDQQMG-IVOJBTPCSA-N. The full InChI is InChI=1S/C11H14N2O5.C5H5N5/c14-5-7-8(15)9(16)11(18-7)13-10(17)6-2-1-3-12-4-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-4,7-9,11,14-16H,5H2,(H,13,17);1-2H,(H3,6,7,8,9,10)/t7-,8-,9-,11-;/m1./s1.
What are the key properties of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine?
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine has a molecular weight of 389.37 g/mol, XLogP of -1.81, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine is sourced from PubChem (CID 175045440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).