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

C12H16N2O4 — CID 171557176

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1cccnc1
InChIInChI=1S/C12H16N2O4/c15-9-3-5-18-10(11(9)16)7-14-12(17)8-2-1-4-13-6-8/h1-2,4,6,9-11,15-16H,3,5,7H2,(H,14,17)
InChIKeyJJLAZMDSRUJGPL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.68
Rot. Bonds3

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

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 171557176) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
PubChem CID171557176
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1cccnc1
InChIInChI=1S/C12H16N2O4/c15-9-3-5-18-10(11(9)16)7-14-12(17)8-2-1-4-13-6-8/h1-2,4,6,9-11,15-16H,3,5,7H2,(H,14,17)
InChIKeyJJLAZMDSRUJGPL-UHFFFAOYSA-N
XLogP-0.68
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 ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide
CID 171556730
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide
CID 171557478
N-[[(4S,5R)-4-(benzamidomethyl)-2,2-dimethyl-1,3,6-trioxocan-5-yl]methyl]pyridine-3-carboxamide
CID 129206668
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 125145459
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 129207208
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
(oxetan-2-ylmethylamino) pyridine-3-carboxylate
CID 166709002

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide (CID 171557176) is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide is O=C(NCC1OCCC(O)C1O)c1cccnc1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is JJLAZMDSRUJGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-9-3-5-18-10(11(9)16)7-14-12(17)8-2-1-4-13-6-8/h1-2,4,6,9-11,15-16H,3,5,7H2,(H,14,17).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide?
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 171557176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).