3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide

C11H16FN3O — CID 107595018

IUPAC3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccncc1F
InChIInChI=1S/C11H16FN3O/c1-3-13-6-8(2)11(16)15-10-4-5-14-7-9(10)12/h4-5,7-8,13H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyJUJVPJOJDLBQIO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.40
Rot. Bonds5

About 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide

3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide (PubChem CID 107595018) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
PubChem CID107595018
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccncc1F
InChIInChI=1S/C11H16FN3O/c1-3-13-6-8(2)11(16)15-10-4-5-14-7-9(10)12/h4-5,7-8,13H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyJUJVPJOJDLBQIO-UHFFFAOYSA-N
XLogP1.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
CID 63672051
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
CID 107595138
3-(ethylamino)-2-methyl-N-pyrazin-2-ylpropanamide
CID 62853429
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
CID 107594933
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 62837323
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4,5-difluorobenzoic acid
CID 62865745
1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
CID 103886199
1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
CID 75506441
(2R)-2-(3-fluorophenyl)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124569903

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide (CID 107595018) is 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccncc1F.
What is the InChIKey of 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
The InChIKey is JUJVPJOJDLBQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-13-6-8(2)11(16)15-10-4-5-14-7-9(10)12/h4-5,7-8,13H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide has a molecular weight of 225.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 107595018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).