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

C13H18N2O4 — CID 55123665

IUPAC3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1ccn(C)c(=O)c1)C(C)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-15(9(2)7-12(17)18)13(19)10-5-6-14(3)11(16)8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)
InChIKeyHYOUIGGXFLOIMF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.71
Rot. Bonds5

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

3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid (PubChem CID 55123665) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
PubChem CID55123665
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1ccn(C)c(=O)c1)C(C)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-15(9(2)7-12(17)18)13(19)10-5-6-14(3)11(16)8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)
InChIKeyHYOUIGGXFLOIMF-UHFFFAOYSA-N
XLogP0.71
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
CID 63651571
N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 103758621
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910
3-[ethyl-(3-fluorobenzoyl)amino]butanoic acid
CID 62821196
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
CID 54941998
N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
CID 62821555
3-[(4-chloro-3-fluorobenzoyl)-ethylamino]butanoic acid
CID 114025721
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid (CID 55123665) is 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid is CCN(C(=O)c1ccn(C)c(=O)c1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is HYOUIGGXFLOIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(9(2)7-12(17)18)13(19)10-5-6-14(3)11(16)8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 55123665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).