pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal

C11H16N2O5 — CID 87676213

IUPACpyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal
SMILESNC(=O)c1cccnc1.O=CC[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H6N2O.C5H10O4/c7-6(9)5-2-1-3-8-4-5;6-2-1-4(8)5(9)3-7/h1-4H,(H2,7,9);2,4-5,7-9H,1,3H2/t;4-,5+/m.0/s1
InChIKeyQUDJRIIMLJFHSK-ZBTZCESGSA-N
MW256.26 g/mol
LogP-1.53
Rot. Bonds5

About pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal

pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal (PubChem CID 87676213) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal.

Molecular Properties

Compound Namepyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal
PubChem CID87676213
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namepyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal
SMILESNC(=O)c1cccnc1.O=CC[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H6N2O.C5H10O4/c7-6(9)5-2-1-3-8-4-5;6-2-1-4(8)5(9)3-7/h1-4H,(H2,7,9);2,4-5,7-9H,1,3H2/t;4-,5+/m.0/s1
InChIKeyQUDJRIIMLJFHSK-ZBTZCESGSA-N
XLogP-1.53
TPSA133.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
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CID 66766032
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CID 159465776
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
oxalic acid;pyridine-3-carboxamide
CID 69110411
potassium;ethene;pyridine-3-carboxamide
CID 174767244
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
hexane-1,2,3,4,5,6-hexol;7H-purin-6-amine;pyridine-3-carboxamide
CID 68901215

Frequently Asked Questions

What is the IUPAC name of pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal?
The IUPAC name of pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal (CID 87676213) is pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal.
What is the SMILES notation for pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal?
The canonical SMILES for pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal is NC(=O)c1cccnc1.O=CC[C@H](O)[C@H](O)CO.
What is the InChIKey of pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal?
The InChIKey is QUDJRIIMLJFHSK-ZBTZCESGSA-N. The full InChI is InChI=1S/C6H6N2O.C5H10O4/c7-6(9)5-2-1-3-8-4-5;6-2-1-4(8)5(9)3-7/h1-4H,(H2,7,9);2,4-5,7-9H,1,3H2/t;4-,5+/m.0/s1.
What are the key properties of pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal?
pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal has a molecular weight of 256.26 g/mol, XLogP of -1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal is sourced from PubChem (CID 87676213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).