N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide

C10H14N2O5 — CID 154457803

IUPACN-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NOC[C@@H](O)CO)ccc1=O
InChIInChI=1S/C10H14N2O5/c1-12-4-7(2-3-9(12)15)10(16)11-17-6-8(14)5-13/h2-4,8,13-14H,5-6H2,1H3,(H,11,16)/t8-/m0/s1
InChIKeySTGKCIVNYDWZCP-QMMMGPOBSA-N
MW242.23 g/mol
LogP-1.60
Rot. Bonds5

About N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide

N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 154457803) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID154457803
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC NameN-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NOC[C@@H](O)CO)ccc1=O
InChIInChI=1S/C10H14N2O5/c1-12-4-7(2-3-9(12)15)10(16)11-17-6-8(14)5-13/h2-4,8,13-14H,5-6H2,1H3,(H,11,16)/t8-/m0/s1
InChIKeySTGKCIVNYDWZCP-QMMMGPOBSA-N
XLogP-1.60
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide (CID 154457803) is N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NOC[C@@H](O)CO)ccc1=O.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is STGKCIVNYDWZCP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-12-4-7(2-3-9(12)15)10(16)11-17-6-8(14)5-13/h2-4,8,13-14H,5-6H2,1H3,(H,11,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 242.23 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropoxy]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 154457803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).