2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide

C14H22FN3O2 — CID 105387150

IUPAC2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
SMILESCCCOCCCNC(=O)c1ccnc(NCC)c1F
InChIInChI=1S/C14H22FN3O2/c1-3-9-20-10-5-7-18-14(19)11-6-8-17-13(12(11)15)16-4-2/h6,8H,3-5,7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOXMQTOGDNQKINL-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.20
Rot. Bonds9

About 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide (PubChem CID 105387150) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
PubChem CID105387150
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
SMILESCCCOCCCNC(=O)c1ccnc(NCC)c1F
InChIInChI=1S/C14H22FN3O2/c1-3-9-20-10-5-7-18-14(19)11-6-8-17-13(12(11)15)16-4-2/h6,8H,3-5,7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOXMQTOGDNQKINL-UHFFFAOYSA-N
XLogP2.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.20
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

2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide (CID 105387150) is 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide is CCCOCCCNC(=O)c1ccnc(NCC)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide?
The InChIKey is OXMQTOGDNQKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-3-9-20-10-5-7-18-14(19)11-6-8-17-13(12(11)15)16-4-2/h6,8H,3-5,7,9-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105387150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).