N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C13H20N2O3 — CID 113351778

IUPACN-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCCCO)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-10-6-7-11(13(18)15-10)12(17)14-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyDVJGWYLATANGGF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.97
Rot. Bonds7

About N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 113351778) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID113351778
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCCCO)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-10-6-7-11(13(18)15-10)12(17)14-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyDVJGWYLATANGGF-UHFFFAOYSA-N
XLogP0.97
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.97
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-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113451622
methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115584292
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877068
ethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115589394
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 113351778) is N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCCCCO)c(=O)[nH]1.
What is the InChIKey of N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DVJGWYLATANGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-6-7-11(13(18)15-10)12(17)14-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113351778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).