N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C12H17N3O3 — CID 56885404

IUPACN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCNC[C@H]1O)c1ccc[nH]c1=O
InChIInChI=1S/C12H17N3O3/c16-10-7-13-5-3-8(10)6-15-12(18)9-2-1-4-14-11(9)17/h1-2,4,8,10,13,16H,3,5-7H2,(H,14,17)(H,15,18)/t8-,10+/m0/s1
InChIKeyPWPURQCVTYWOEG-WCBMZHEXSA-N
MW251.29 g/mol
LogP-0.92
Rot. Bonds3

About N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56885404) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56885404
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCNC[C@H]1O)c1ccc[nH]c1=O
InChIInChI=1S/C12H17N3O3/c16-10-7-13-5-3-8(10)6-15-12(18)9-2-1-4-14-11(9)17/h1-2,4,8,10,13,16H,3,5-7H2,(H,14,17)(H,15,18)/t8-,10+/m0/s1
InChIKeyPWPURQCVTYWOEG-WCBMZHEXSA-N
XLogP-0.92
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56885404) is N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NC[C@@H]1CCNC[C@H]1O)c1ccc[nH]c1=O.
What is the InChIKey of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PWPURQCVTYWOEG-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-7-13-5-3-8(10)6-15-12(18)9-2-1-4-14-11(9)17/h1-2,4,8,10,13,16H,3,5-7H2,(H,14,17)(H,15,18)/t8-,10+/m0/s1.
What are the key properties of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56885404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).