N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C12H18FN3O2 — CID 105384594

IUPACN-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1ccnc(NC)c1F
InChIInChI=1S/C12H18FN3O2/c1-3-18-8-4-6-16-12(17)9-5-7-15-11(14-2)10(9)13/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDXGVTKHFEBWBMD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.42
Rot. Bonds7

About N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105384594) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105384594
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC NameN-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1ccnc(NC)c1F
InChIInChI=1S/C12H18FN3O2/c1-3-18-8-4-6-16-12(17)9-5-7-15-11(14-2)10(9)13/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDXGVTKHFEBWBMD-UHFFFAOYSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.42
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

N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105384594) is N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CCOCCCNC(=O)c1ccnc(NC)c1F.
What is the InChIKey of N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is DXGVTKHFEBWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-3-18-8-4-6-16-12(17)9-5-7-15-11(14-2)10(9)13/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105384594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).