3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid

C14H15N3O4 — CID 104743357

IUPAC3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-2-17(9-10-5-4-8-21-10)14(20)16-11-6-3-7-15-12(11)13(18)19/h3-8H,2,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyXHNBIXUFKWLPKS-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.43
Rot. Bonds5

About 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743357) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743357
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-2-17(9-10-5-4-8-21-10)14(20)16-11-6-3-7-15-12(11)13(18)19/h3-8H,2,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyXHNBIXUFKWLPKS-UHFFFAOYSA-N
XLogP2.43
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 104743357) is 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid is CCN(Cc1ccco1)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is XHNBIXUFKWLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-17(9-10-5-4-8-21-10)14(20)16-11-6-3-7-15-12(11)13(18)19/h3-8H,2,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).