N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide

C16H26FN3O — CID 115497476

IUPACN-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)c1cccc(F)n1
InChIInChI=1S/C16H26FN3O/c1-5-19(6-2)10-11-20(12-13(3)4)16(21)14-8-7-9-15(17)18-14/h7-9,13H,5-6,10-12H2,1-4H3
InChIKeyVNWUGIONHRMVLQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.66
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 115497476) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID115497476
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)c1cccc(F)n1
InChIInChI=1S/C16H26FN3O/c1-5-19(6-2)10-11-20(12-13(3)4)16(21)14-8-7-9-15(17)18-14/h7-9,13H,5-6,10-12H2,1-4H3
InChIKeyVNWUGIONHRMVLQ-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 113323490
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-oxidopyridin-1-ium-2-carboxamide
CID 60559149
6-amino-N,N-bis(2-methylpropyl)pyridine-2-carboxamide;hydrochloride
CID 119998863
ethane;6-fluoro-N-[(Z)-2-(methylideneamino)-3-(1H-1,2,4-triazol-5-yl)hex-2-enyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 142934727
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
6-fluoro-N-[(Z)-2-(methylideneamino)-3-(1H-1,2,4-triazol-5-yl)hex-2-enyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 142934728
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 115497491
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)-N-(2-methylpropyl)benzamide
CID 55836803
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide (CID 115497476) is N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide is CCN(CC)CCN(CC(C)C)C(=O)c1cccc(F)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is VNWUGIONHRMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-19(6-2)10-11-20(12-13(3)4)16(21)14-8-7-9-15(17)18-14/h7-9,13H,5-6,10-12H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).