N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H17N3O4 — CID 103696535

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H17N3O4/c1-8-5-10(16)9(6-14-8)12(18)15-7-11(17)13-3-4-19-2/h5-6H,3-4,7H2,1-2H3,(H,13,17)(H,14,16)(H,15,18)
InChIKeyRHXXPMFGKVZLBZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.82
Rot. Bonds6

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103696535) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103696535
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H17N3O4/c1-8-5-10(16)9(6-14-8)12(18)15-7-11(17)13-3-4-19-2/h5-6H,3-4,7H2,1-2H3,(H,13,17)(H,14,16)(H,15,18)
InChIKeyRHXXPMFGKVZLBZ-UHFFFAOYSA-N
XLogP-0.82
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
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-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-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103696535) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is COCCNC(=O)CNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RHXXPMFGKVZLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-5-10(16)9(6-14-8)12(18)15-7-11(17)13-3-4-19-2/h5-6H,3-4,7H2,1-2H3,(H,13,17)(H,14,16)(H,15,18).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).