N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide

C19H23N7O3 — CID 110157612

IUPACN-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide
SMILESCN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)[C@H]1O
InChIInChI=1S/C19H23N7O3/c1-25(2)17-14-18(22-9-21-17)26(10-23-14)13-7-6-11(15(27)16(13)28)24-19(29)12-5-3-4-8-20-12/h3-5,8-11,13,15-16,27-28H,6-7H2,1-2H3,(H,24,29)/t11-,13-,15+,16+/m1/s1
InChIKeyAHHLODKVRYVCFR-OYNZBZHQSA-N
MW397.44 g/mol
LogP0.14
Rot. Bonds4

About N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide

N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide (PubChem CID 110157612) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide
PubChem CID110157612
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC NameN-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide
SMILESCN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)[C@H]1O
InChIInChI=1S/C19H23N7O3/c1-25(2)17-14-18(22-9-21-17)26(10-23-14)13-7-6-11(15(27)16(13)28)24-19(29)12-5-3-4-8-20-12/h3-5,8-11,13,15-16,27-28H,6-7H2,1-2H3,(H,24,29)/t11-,13-,15+,16+/m1/s1
InChIKeyAHHLODKVRYVCFR-OYNZBZHQSA-N
XLogP0.14
TPSA129.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R,4R)-2,3-dihydroxy-4-[6-(methylamino)purin-9-yl]cyclohexyl]-2-methoxybenzamide
CID 110158038
N-[(1R,2R,3R,4R)-2,3-dihydroxy-4-[6-(methylamino)purin-9-yl]cyclohexyl]-4-methoxybenzamide
CID 110158013
(1R,2R,3R,5R)-3-[6-(dimethylamino)purin-9-yl]cycloheptane-1,2,5-triol
CID 10566661
4-(3-aminopropoxy)-N-[(1R,2S,3S,4R)-2,3-dihydroxy-4-[6-(methylamino)purin-9-yl]cyclohexyl]benzamide
CID 110135216
(2S)-2-amino-N-[(1S,2R,3S)-3-[6-(dimethylamino)purin-9-yl]-2-hydroxycyclohexyl]-N-(4-methoxyphenyl)propanamide
CID 90673299
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]pyridine-2-carboxamide
CID 78064189
9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine
CID 124606574
N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide
CID 91144202
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
(2R,3S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90084187
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide (CID 110157612) is N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide is CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)[C@H]1O.
What is the InChIKey of N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide?
The InChIKey is AHHLODKVRYVCFR-OYNZBZHQSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-25(2)17-14-18(22-9-21-17)26(10-23-14)13-7-6-11(15(27)16(13)28)24-19(29)12-5-3-4-8-20-12/h3-5,8-11,13,15-16,27-28H,6-7H2,1-2H3,(H,24,29)/t11-,13-,15+,16+/m1/s1.
What are the key properties of N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide?
N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S,4R)-4-[6-(dimethylamino)purin-9-yl]-2,3-dihydroxycyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 110157612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).