methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate

C14H20N2O4 — CID 43431508

IUPACmethyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1ccn(C)c(=O)c1)C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-5-7-14(2,13(19)20-4)15-12(18)10-6-8-16(3)11(17)9-10/h6,8-9H,5,7H2,1-4H3,(H,15,18)
InChIKeyVZLBQQDUZBBYFO-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.85
Rot. Bonds5

About methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate (PubChem CID 43431508) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate
PubChem CID43431508
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1ccn(C)c(=O)c1)C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-5-7-14(2,13(19)20-4)15-12(18)10-6-8-16(3)11(17)9-10/h6,8-9H,5,7H2,1-4H3,(H,15,18)
InChIKeyVZLBQQDUZBBYFO-UHFFFAOYSA-N
XLogP0.85
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-4-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215877
methyl (2R)-4-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215879
Methyl 4-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 78634923
Methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 86982612
Methyl 4-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 133819270
methyl 2-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-2-methylpentanoate
CID 53519780
Ethyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579847
Ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579934
Ethyl 2-[4-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139580029
3-Methoxypropyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 146189731
Propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 156728225
4-[(dimethylamino)methyl]-1H-pyridin-2-one;ethyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;ethyl 2,4-dimethylpentanoate;methane
CID 158760204

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate (CID 43431508) is methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1ccn(C)c(=O)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate?
The InChIKey is VZLBQQDUZBBYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-7-14(2,13(19)20-4)15-12(18)10-6-8-16(3)11(17)9-10/h6,8-9H,5,7H2,1-4H3,(H,15,18).
What are the key properties of methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate has a molecular weight of 280.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 43431508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).