6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C14H18N2O5 — CID 63098014

IUPAC6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)NC1CCOCC1
InChIInChI=1S/C14H18N2O5/c1-9-2-3-11(14(19)20)13(18)16(9)8-12(17)15-10-4-6-21-7-5-10/h2-3,10H,4-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyMSFRXJKROPKYLG-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.15
Rot. Bonds4

About 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 63098014) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID63098014
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)NC1CCOCC1
InChIInChI=1S/C14H18N2O5/c1-9-2-3-11(14(19)20)13(18)16(9)8-12(17)15-10-4-6-21-7-5-10/h2-3,10H,4-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyMSFRXJKROPKYLG-UHFFFAOYSA-N
XLogP0.15
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10356245
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CID 55125652
CID 55125652
CID 55125845
CID 55125845
CID 55126324
CID 55126324
CID 61718183
CID 61718183
CID 61718760
CID 61718760
CID 61718761
CID 61718761
CID 61718766
CID 61718766
CID 61718767
CID 61718767

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 63098014) is 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC(=O)NC1CCOCC1.
What is the InChIKey of 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is MSFRXJKROPKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-2-3-11(14(19)20)13(18)16(9)8-12(17)15-10-4-6-21-7-5-10/h2-3,10H,4-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63098014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).