6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 104578609

IUPAC6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCOC(C)C)c[nH]1
InChIInChI=1S/C12H18N2O3/c1-8(2)17-5-4-13-12(16)10-7-14-9(3)6-11(10)15/h6-8H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyNVHQXAUEGUKAPP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds5

About 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide (PubChem CID 104578609) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
PubChem CID104578609
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCOC(C)C)c[nH]1
InChIInChI=1S/C12H18N2O3/c1-8(2)17-5-4-13-12(16)10-7-14-9(3)6-11(10)15/h6-8H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyNVHQXAUEGUKAPP-UHFFFAOYSA-N
XLogP0.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
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 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide (CID 104578609) is 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCOC(C)C)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NVHQXAUEGUKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)17-5-4-13-12(16)10-7-14-9(3)6-11(10)15/h6-8H,4-5H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104578609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).