2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide

C11H16FN3O — CID 105384763

IUPAC2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(N)c1F)C(C)C
InChIInChI=1S/C11H16FN3O/c1-4-15(7(2)3)11(16)8-5-6-14-10(13)9(8)12/h5-7H,4H2,1-3H3,(H2,13,14)
InChIKeyPUQQARPULWQTNR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide

2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 105384763) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
PubChem CID105384763
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(N)c1F)C(C)C
InChIInChI=1S/C11H16FN3O/c1-4-15(7(2)3)11(16)8-5-6-14-10(13)9(8)12/h5-7H,4H2,1-3H3,(H2,13,14)
InChIKeyPUQQARPULWQTNR-UHFFFAOYSA-N
XLogP1.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
2-amino-3-fluoro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105384771
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388218
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 105386146
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide (CID 105384763) is 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide is CCN(C(=O)c1ccnc(N)c1F)C(C)C.
What is the InChIKey of 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is PUQQARPULWQTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-4-15(7(2)3)11(16)8-5-6-14-10(13)9(8)12/h5-7H,4H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105384763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).