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

C11H15N3O4 — CID 113447891

IUPAC3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCCN(CCO)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-14(6-7-15)11(18)13-8-4-3-5-12-9(8)10(16)17/h3-5,15H,2,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyFHSKWIFUSWQRDS-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.63
Rot. Bonds5

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

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 113447891) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID113447891
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCCN(CCO)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-14(6-7-15)11(18)13-8-4-3-5-12-9(8)10(16)17/h3-5,15H,2,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyFHSKWIFUSWQRDS-UHFFFAOYSA-N
XLogP0.63
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743357
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63111388
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 113447891) is 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid is CCN(CCO)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is FHSKWIFUSWQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-14(6-7-15)11(18)13-8-4-3-5-12-9(8)10(16)17/h3-5,15H,2,6-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113447891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).