2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide

C15H15F2N3O — CID 105386943

IUPAC2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccnc(N)c2F)cc1F
InChIInChI=1S/C15H15F2N3O/c1-8-3-4-10(7-12(8)16)9(2)20-15(21)11-5-6-19-14(18)13(11)17/h3-7,9H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyVDLYJUIVKDGYIP-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide

2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 105386943) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID105386943
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccnc(N)c2F)cc1F
InChIInChI=1S/C15H15F2N3O/c1-8-3-4-10(7-12(8)16)9(2)20-15(21)11-5-6-19-14(18)13(11)17/h3-7,9H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyVDLYJUIVKDGYIP-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
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
2,5-dibromo-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-3-carboxamide
CID 107962299
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378513
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 105387484

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide (CID 105386943) is 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide is Cc1ccc(C(C)NC(=O)c2ccnc(N)c2F)cc1F.
What is the InChIKey of 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is VDLYJUIVKDGYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-8-3-4-10(7-12(8)16)9(2)20-15(21)11-5-6-19-14(18)13(11)17/h3-7,9H,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105386943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).