methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate

C13H18N2O4 — CID 107362962

IUPACmethyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cccc(=O)[nH]1)C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-8-13(2,12(18)19-3)15-11(17)9-6-5-7-10(16)14-9/h5-7H,4,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySGHKNXSUNFMLAR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate (PubChem CID 107362962) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate
PubChem CID107362962
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cccc(=O)[nH]1)C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-8-13(2,12(18)19-3)15-11(17)9-6-5-7-10(16)14-9/h5-7H,4,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySGHKNXSUNFMLAR-UHFFFAOYSA-N
XLogP0.84
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 86982612
Methyl 1-(6-oxo-1,6-dihydropyridine-2-carboxamido)cyclohexane-1-carboxylate
CID 57672876
Methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 167446055
methyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 168106743
methyl 2-[[(E)-but-2-enoyl]amino]-2-methylpentanoate
CID 43431384
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methylpentanoate
CID 43431506
Methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate
CID 43431508
Methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate
CID 43431541
Methyl 2-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
CID 43431542
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43623898
methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate
CID 43623943
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate
CID 43623949

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate (CID 107362962) is methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1cccc(=O)[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate?
The InChIKey is SGHKNXSUNFMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-8-13(2,12(18)19-3)15-11(17)9-6-5-7-10(16)14-9/h5-7H,4,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate has a molecular weight of 266.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 107362962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).