N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 107299631

IUPACN-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCC(C)O)c[nH]1
InChIInChI=1S/C12H18N2O3/c1-8-6-11(16)10(7-14-8)12(17)13-5-3-4-9(2)15/h6-7,9,15H,3-5H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyLXNQZCMXHNULTA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds5

About N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 107299631) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID107299631
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCC(C)O)c[nH]1
InChIInChI=1S/C12H18N2O3/c1-8-6-11(16)10(7-14-8)12(17)13-5-3-4-9(2)15/h6-7,9,15H,3-5H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyLXNQZCMXHNULTA-UHFFFAOYSA-N
XLogP0.57
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718186
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103819928
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
N-[2-[butan-2-yl(methyl)amino]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717923

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 107299631) is N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCCC(C)O)c[nH]1.
What is the InChIKey of N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LXNQZCMXHNULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-6-11(16)10(7-14-8)12(17)13-5-3-4-9(2)15/h6-7,9,15H,3-5H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 107299631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).