3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid

C13H18N2O4 — CID 81065047

IUPAC3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccn(C)c(=O)c1)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-9(6-12(17)18)8-14-13(19)10-4-5-15(2)11(16)7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyUBNZDFOSRXTFRX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds6

About 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid

3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81065047) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID81065047
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccn(C)c(=O)c1)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-9(6-12(17)18)8-14-13(19)10-4-5-15(2)11(16)7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyUBNZDFOSRXTFRX-UHFFFAOYSA-N
XLogP0.62
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid (CID 81065047) is 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccn(C)c(=O)c1)CC(=O)O.
What is the InChIKey of 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is UBNZDFOSRXTFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-9(6-12(17)18)8-14-13(19)10-4-5-15(2)11(16)7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid?
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).