N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide

C12H16N2O4 — CID 155996114

IUPACN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1ccccn1
InChIInChI=1S/C12H16N2O4/c15-10-7-18-6-8(11(10)16)5-14-12(17)9-3-1-2-4-13-9/h1-4,8,10-11,15-16H,5-7H2,(H,14,17)/t8-,10-,11+/m1/s1
InChIKeyBWMCIMYLCAKINW-IEBDPFPHSA-N
MW252.27 g/mol
LogP-0.82
Rot. Bonds3

About N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide

N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 155996114) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
PubChem CID155996114
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1ccccn1
InChIInChI=1S/C12H16N2O4/c15-10-7-18-6-8(11(10)16)5-14-12(17)9-3-1-2-4-13-9/h1-4,8,10-11,15-16H,5-7H2,(H,14,17)/t8-,10-,11+/m1/s1
InChIKeyBWMCIMYLCAKINW-IEBDPFPHSA-N
XLogP-0.82
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 72946592
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-2-carboxamide
CID 110741555
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyridine-2-carboxamide
CID 94810936

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide (CID 155996114) is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide is O=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1ccccn1.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is BWMCIMYLCAKINW-IEBDPFPHSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10-7-18-6-8(11(10)16)5-14-12(17)9-3-1-2-4-13-9/h1-4,8,10-11,15-16H,5-7H2,(H,14,17)/t8-,10-,11+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide?
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 155996114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).