N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide

C16H17N7O5 — CID 67710729

IUPACN-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide
SMILESNc1ncnc2c1ncn2[C@]1(NC(=O)c2cccnc2)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H17N7O5/c17-13-10-14(20-6-19-13)23(7-21-10)16(12(26)11(25)9(5-24)28-16)22-15(27)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,24-26H,5H2,(H,22,27)(H2,17,19,20)/t9-,11-,12-,16+/m1/s1
InChIKeyXTPDPFUVCBNAQT-JRFJBVBDSA-N
MW387.36 g/mol
LogP-2.04
Rot. Bonds4

About N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide

N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide (PubChem CID 67710729) has the molecular formula C16H17N7O5 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide
PubChem CID67710729
Molecular FormulaC16H17N7O5
Molecular Weight387.36 g/mol
Exact Mass387.13
IUPAC NameN-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide
SMILESNc1ncnc2c1ncn2[C@]1(NC(=O)c2cccnc2)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H17N7O5/c17-13-10-14(20-6-19-13)23(7-21-10)16(12(26)11(25)9(5-24)28-16)22-15(27)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,24-26H,5H2,(H,22,27)(H2,17,19,20)/t9-,11-,12-,16+/m1/s1
InChIKeyXTPDPFUVCBNAQT-JRFJBVBDSA-N
XLogP-2.04
TPSA181.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;1-pyridin-3-ylethanone
CID 70497378
N-(6-aminopurin-9-yl)pyridine-3-carboxamide
CID 57322773
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(2-methyl-3,4-dihydro-2H-chromen-3-yl)amino]oxolane-3,4-diol
CID 70400620
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]amino]oxolane-3,4-diol
CID 70401829
(2R,3R,4S,5R)-2-(2-aminophenyl)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67861348
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(1S)-1-phenylethyl]oxolane-3,4-diol
CID 70869379
(2R,3R,4S,5R)-2-(2-aminoprop-2-enyl)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67537410
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 69298327

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide (CID 67710729) is N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide is Nc1ncnc2c1ncn2[C@]1(NC(=O)c2cccnc2)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide?
The InChIKey is XTPDPFUVCBNAQT-JRFJBVBDSA-N. The full InChI is InChI=1S/C16H17N7O5/c17-13-10-14(20-6-19-13)23(7-21-10)16(12(26)11(25)9(5-24)28-16)22-15(27)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,24-26H,5H2,(H,22,27)(H2,17,19,20)/t9-,11-,12-,16+/m1/s1.
What are the key properties of N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide?
N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of -2.04, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67710729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).