3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid

C14H14N4O3 — CID 104743183

IUPAC3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccccn1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H14N4O3/c19-13(20)12-11(5-3-8-16-12)18-14(21)17-9-6-10-4-1-2-7-15-10/h1-5,7-8H,6,9H2,(H,19,20)(H2,17,18,21)
InChIKeyWJGDHLWRPIBPHA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.54
Rot. Bonds5

About 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid

3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 104743183) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID104743183
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccccn1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H14N4O3/c19-13(20)12-11(5-3-8-16-12)18-14(21)17-9-6-10-4-1-2-7-15-10/h1-5,7-8H,6,9H2,(H,19,20)(H2,17,18,21)
InChIKeyWJGDHLWRPIBPHA-UHFFFAOYSA-N
XLogP1.54
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743648
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid (CID 104743183) is 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid is O=C(NCCc1ccccn1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is WJGDHLWRPIBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(20)12-11(5-3-8-16-12)18-14(21)17-9-6-10-4-1-2-7-15-10/h1-5,7-8H,6,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid?
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104743183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).