N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide

C11H16N2O4 — CID 103877366

IUPACN-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O4/c1-17-7-9(14)4-5-12-11(16)8-2-3-10(15)13-6-8/h2-3,6,9,14H,4-5,7H2,1H3,(H,12,16)(H,13,15)
InChIKeyIELDUWXRFWDGEV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.50
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide

N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 103877366) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID103877366
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O4/c1-17-7-9(14)4-5-12-11(16)8-2-3-10(15)13-6-8/h2-3,6,9,14H,4-5,7H2,1H3,(H,12,16)(H,13,15)
InChIKeyIELDUWXRFWDGEV-UHFFFAOYSA-N
XLogP-0.50
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62850274
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317
N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114211336
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide (CID 103877366) is N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide is COCC(O)CCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IELDUWXRFWDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-7-9(14)4-5-12-11(16)8-2-3-10(15)13-6-8/h2-3,6,9,14H,4-5,7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103877366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).