5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid

C13H17N3O5 — CID 63157676

IUPAC5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-3-4-16(8-11(17)21-2)13(20)15-10-5-9(12(18)19)6-14-7-10/h5-7H,3-4,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyABJZYNDKPRSVRI-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.20
Rot. Bonds6

About 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid

5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63157676) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63157676
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-3-4-16(8-11(17)21-2)13(20)15-10-5-9(12(18)19)6-14-7-10/h5-7H,3-4,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyABJZYNDKPRSVRI-UHFFFAOYSA-N
XLogP1.20
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid (CID 63157676) is 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid is CCCN(CC(=O)OC)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ABJZYNDKPRSVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-3-4-16(8-11(17)21-2)13(20)15-10-5-9(12(18)19)6-14-7-10/h5-7H,3-4,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).