5-[3-(diethylamino)propoxy]pyridine-2-carboxamide

C13H21N3O2 — CID 70024407

IUPAC5-[3-(diethylamino)propoxy]pyridine-2-carboxamide
SMILESCCN(CC)CCCOc1ccc(C(N)=O)nc1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)8-5-9-18-11-6-7-12(13(14)17)15-10-11/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,17)
InChIKeyKXGFLPSTJQTKMG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds8

About 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide

5-[3-(diethylamino)propoxy]pyridine-2-carboxamide (PubChem CID 70024407) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(diethylamino)propoxy]pyridine-2-carboxamide
PubChem CID70024407
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[3-(diethylamino)propoxy]pyridine-2-carboxamide
SMILESCCN(CC)CCCOc1ccc(C(N)=O)nc1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)8-5-9-18-11-6-7-12(13(14)17)15-10-11/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,17)
InChIKeyKXGFLPSTJQTKMG-UHFFFAOYSA-N
XLogP1.29
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
5-(cyanomethoxy)pyridine-2-carboxamide
CID 142745503
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
5-[3-[ethyl(methyl)amino]propoxy]pyridin-2-amine
CID 167126121
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide
CID 19869411
5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
CID 3503046
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide (CID 70024407) is 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide is CCN(CC)CCCOc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide?
The InChIKey is KXGFLPSTJQTKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(4-2)8-5-9-18-11-6-7-12(13(14)17)15-10-11/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,17).
What are the key properties of 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide?
5-[3-(diethylamino)propoxy]pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 70024407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).