3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid

C15H23N3O3 — CID 106020390

IUPAC3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCCCCC(CCC)NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-5-8-11(7-4-2)17-15(21)18-12-9-6-10-16-13(12)14(19)20/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyQFNBDUPOGFHMNZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.26
Rot. Bonds8

About 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 106020390) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID106020390
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCCCCC(CCC)NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-5-8-11(7-4-2)17-15(21)18-12-9-6-10-16-13(12)14(19)20/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyQFNBDUPOGFHMNZ-UHFFFAOYSA-N
XLogP3.26
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447920
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113486653
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
1-heptan-4-yl-3-(2-methylsulfanylphenyl)urea
CID 58607472
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
CID 106021616
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 106115965
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
1-(4-acetylphenyl)-3-octan-4-ylurea
CID 106025098
1-(3-aminophenyl)-3-octan-4-ylurea
CID 106026333
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517

Frequently Asked Questions

What is the IUPAC name of 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 106020390) is 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid is CCCCC(CCC)NC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is QFNBDUPOGFHMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-5-8-11(7-4-2)17-15(21)18-12-9-6-10-16-13(12)14(19)20/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 106020390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).