N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 103819928

IUPACN-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(O)C(C)C)c[nH]1
InChIInChI=1S/C12H18N2O3/c1-7(2)11(16)6-14-12(17)9-5-13-8(3)4-10(9)15/h4-5,7,11,16H,6H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyMFVHGEQYRBSGCL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.43
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103819928) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103819928
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(O)C(C)C)c[nH]1
InChIInChI=1S/C12H18N2O3/c1-7(2)11(16)6-14-12(17)9-5-13-8(3)4-10(9)15/h4-5,7,11,16H,6H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyMFVHGEQYRBSGCL-UHFFFAOYSA-N
XLogP0.43
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
N-(2-hydroxy-3-methoxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113278446
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
N-[2-[cyclopropyl(methyl)amino]propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717932
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide
CID 75375675
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103819928) is N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC(O)C(C)C)c[nH]1.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MFVHGEQYRBSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)11(16)6-14-12(17)9-5-13-8(3)4-10(9)15/h4-5,7,11,16H,6H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103819928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).