1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide

C11H18N2O5 — CID 130271848

IUPAC1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN([C@H](OCCO)[C@H](O)CO)C1
InChIInChI=1S/C11H18N2O5/c12-10(17)8-2-1-3-13(6-8)11(9(16)7-15)18-5-4-14/h1-3,9,11,14-16H,4-7H2,(H2,12,17)/t9-,11-/m1/s1
InChIKeyRHUPWNBFKOQJRX-MWLCHTKSSA-N
MW258.27 g/mol
LogP-2.08
Rot. Bonds7

About 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide

1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide (PubChem CID 130271848) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide
PubChem CID130271848
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN([C@H](OCCO)[C@H](O)CO)C1
InChIInChI=1S/C11H18N2O5/c12-10(17)8-2-1-3-13(6-8)11(9(16)7-15)18-5-4-14/h1-3,9,11,14-16H,4-7H2,(H2,12,17)/t9-,11-/m1/s1
InChIKeyRHUPWNBFKOQJRX-MWLCHTKSSA-N
XLogP-2.08
TPSA116.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide?
The IUPAC name of 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide (CID 130271848) is 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN([C@H](OCCO)[C@H](O)CO)C1.
What is the InChIKey of 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide?
The InChIKey is RHUPWNBFKOQJRX-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18N2O5/c12-10(17)8-2-1-3-13(6-8)11(9(16)7-15)18-5-4-14/h1-3,9,11,14-16H,4-7H2,(H2,12,17)/t9-,11-/m1/s1.
What are the key properties of 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide?
1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide has a molecular weight of 258.27 g/mol, XLogP of -2.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide is sourced from PubChem (CID 130271848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).