5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

C14H21N3O4 — CID 81090834

IUPAC5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCOCCN(CC)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O4/c1-3-17(7-8-21-4-2)14(20)16-10-11-5-6-12(13(18)19)15-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWPLXKYWLSWZKCX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.35
Rot. Bonds8

About 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81090834) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81090834
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCOCCN(CC)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O4/c1-3-17(7-8-21-4-2)14(20)16-10-11-5-6-12(13(18)19)15-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWPLXKYWLSWZKCX-UHFFFAOYSA-N
XLogP1.35
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090456
5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095837
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2-[2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374539
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095741
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81090834) is 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is CCOCCN(CC)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WPLXKYWLSWZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-17(7-8-21-4-2)14(20)16-10-11-5-6-12(13(18)19)15-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).