methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate

C16H16N2O4 — CID 99809385

IUPACmethyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate
SMILESCOC(=O)CN(C(=O)c1ccc(=O)n(C)c1)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-17-10-12(8-9-14(17)19)16(21)18(11-15(20)22-2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyAELCKJOYCGZKGJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.21
Rot. Bonds4

About methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate

methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate (PubChem CID 99809385) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate
PubChem CID99809385
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate
SMILESCOC(=O)CN(C(=O)c1ccc(=O)n(C)c1)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-17-10-12(8-9-14(17)19)16(21)18(11-15(20)22-2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyAELCKJOYCGZKGJ-UHFFFAOYSA-N
XLogP1.21
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 2-(N-[2-(N-[2-(3,5-difluorophenyl)acetyl]-4-fluoroanilino)acetyl]anilino)acetate
CID 22492252
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119227833
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 56817769
methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate
CID 54154320
2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119199937
methyl 2-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]acetate
CID 67015532
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate?
The IUPAC name of methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate (CID 99809385) is methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate.
What is the SMILES notation for methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate?
The canonical SMILES for methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate is COC(=O)CN(C(=O)c1ccc(=O)n(C)c1)c1ccccc1.
What is the InChIKey of methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate?
The InChIKey is AELCKJOYCGZKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17-10-12(8-9-14(17)19)16(21)18(11-15(20)22-2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate?
methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate has a molecular weight of 300.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(1-methyl-6-oxopyridine-3-carbonyl)anilino)acetate is sourced from PubChem (CID 99809385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).