5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide

C14H23N3O3 — CID 82965848

IUPAC5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1ccc(N)cn1
InChIInChI=1S/C14H23N3O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10,15H2,1-2H3
InChIKeyHOCKBHMVIUFUSO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.18
Rot. Bonds9

About 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide

5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide (PubChem CID 82965848) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
PubChem CID82965848
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1ccc(N)cn1
InChIInChI=1S/C14H23N3O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10,15H2,1-2H3
InChIKeyHOCKBHMVIUFUSO-UHFFFAOYSA-N
XLogP1.18
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 81317233
5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 55231172
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81053194
4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965080
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090834

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide (CID 82965848) is 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide is CCOCCN(CCOCC)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
The InChIKey is HOCKBHMVIUFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10,15H2,1-2H3.
What are the key properties of 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 82965848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).