N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide

C13H20FN3O — CID 103719344

IUPACN-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
SMILESCCCN(CC)CCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C13H20FN3O/c1-3-8-17(4-2)9-7-15-13(18)11-5-6-12(14)16-10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyZNPGOVJCBXTTSJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide

N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide (PubChem CID 103719344) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
PubChem CID103719344
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
SMILESCCCN(CC)CCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C13H20FN3O/c1-3-8-17(4-2)9-7-15-13(18)11-5-6-12(14)16-10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyZNPGOVJCBXTTSJ-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 114134937
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
CID 112696045
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide (CID 103719344) is N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide is CCCN(CC)CCNC(=O)c1ccc(F)nc1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is ZNPGOVJCBXTTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-8-17(4-2)9-7-15-13(18)11-5-6-12(14)16-10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide?
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103719344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).