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

C14H21N3O4 — CID 81090384

IUPAC5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCCCN(CCO)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O4/c1-2-3-6-17(7-8-18)14(21)16-10-11-4-5-12(13(19)20)15-9-11/h4-5,9,18H,2-3,6-8,10H2,1H3,(H,16,21)(H,19,20)
InChIKeyNBMXFVTXLHHGRD-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.08
Rot. Bonds8

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

5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81090384) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81090384
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCCCN(CCO)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O4/c1-2-3-6-17(7-8-18)14(21)16-10-11-4-5-12(13(19)20)15-9-11/h4-5,9,18H,2-3,6-8,10H2,1H3,(H,16,21)(H,19,20)
InChIKeyNBMXFVTXLHHGRD-UHFFFAOYSA-N
XLogP1.08
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111106652
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090834
5-[(octanoylamino)methyl]pyridine-2-carboxylic acid
CID 81099659
5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81099217
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095837
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531

Frequently Asked Questions

What is the IUPAC name of 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81090384) is 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is CCCCN(CCO)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is NBMXFVTXLHHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-3-6-17(7-8-18)14(21)16-10-11-4-5-12(13(19)20)15-9-11/h4-5,9,18H,2-3,6-8,10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).