5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

C13H19N3O4 — CID 81096018

IUPAC5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCCN(CCO)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O4/c1-2-5-16(6-7-17)13(20)15-9-10-3-4-11(12(18)19)14-8-10/h3-4,8,17H,2,5-7,9H2,1H3,(H,15,20)(H,18,19)
InChIKeyLFPLRJWDVUJDMG-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.69
Rot. Bonds7

About 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81096018) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81096018
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCCN(CCO)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O4/c1-2-5-16(6-7-17)13(20)15-9-10-3-4-11(12(18)19)14-8-10/h3-4,8,17H,2,5-7,9H2,1H3,(H,15,20)(H,18,19)
InChIKeyLFPLRJWDVUJDMG-UHFFFAOYSA-N
XLogP0.69
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090834
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381131
3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910295
5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095837
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
5-[(octanoylamino)methyl]pyridine-2-carboxylic acid
CID 81099659
3-[(4-bromo-3-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910356
5-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095741

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81096018) is 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is CCCN(CCO)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LFPLRJWDVUJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-5-16(6-7-17)13(20)15-9-10-3-4-11(12(18)19)14-8-10/h3-4,8,17H,2,5-7,9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81096018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).