3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide

C13H18N2O6 — CID 59037446

IUPAC3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@H]2O)c1O
InChIInChI=1S/C13H18N2O6/c1-5-3-4-14-7(8(5)16)12(20)15-13-11(19)10(18)9(17)6(2)21-13/h3-4,6,9-11,13,16-19H,1-2H3,(H,15,20)/t6-,9+,10-,11+,13-/m0/s1
InChIKeyFKQQIBAPGUDZDJ-BXVGODHUSA-N
MW298.30 g/mol
LogP-1.35
Rot. Bonds2

About 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide

3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide (PubChem CID 59037446) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide
PubChem CID59037446
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@H]2O)c1O
InChIInChI=1S/C13H18N2O6/c1-5-3-4-14-7(8(5)16)12(20)15-13-11(19)10(18)9(17)6(2)21-13/h3-4,6,9-11,13,16-19H,1-2H3,(H,15,20)/t6-,9+,10-,11+,13-/m0/s1
InChIKeyFKQQIBAPGUDZDJ-BXVGODHUSA-N
XLogP-1.35
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide
CID 23566755
N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
CID 124582478
N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
CID 40528769
N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566888
[(3S,6S,7R,8R)-8-ethyl-3-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] (2E)-3,7-dimethylocta-2,6-dienoate
CID 59040171
3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
CID 23566710
N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566681
[8-benzyl-3-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-6-methyl-2,4,9-trioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
CID 20821416
3-hydroxy-N-[(1R,2S)-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 54672553
1-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]ethanone
CID 98191056
3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide
CID 18681920
N-[3-[[(2R,6S,7R,8R)-8-butyl-2,6-dimethyl-7-(4-methyl-2-oxopentyl)-4,9-dioxo-1,5-dioxonan-3-yl]carbamoyl]-2-hydroxyphenyl]-3-hydroxy-4-methylpyridine-2-carboxamide
CID 59040272

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide (CID 59037446) is 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide is Cc1ccnc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@H]2O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide?
The InChIKey is FKQQIBAPGUDZDJ-BXVGODHUSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-5-3-4-14-7(8(5)16)12(20)15-13-11(19)10(18)9(17)6(2)21-13/h3-4,6,9-11,13,16-19H,1-2H3,(H,15,20)/t6-,9+,10-,11+,13-/m0/s1.
What are the key properties of 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide?
3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of -1.35, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59037446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).