5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide

C14H13BrFN3O — CID 62167609

IUPAC5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCCNC1=C(C=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)F
InChIInChI=1S/C14H13BrFN3O/c1-2-17-13-12(7-9(15)8-18-13)14(20)19-11-5-3-10(16)4-6-11/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyKVRRZLOJCRZIFH-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.70
Rot. Bonds4

About 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 62167609) has the molecular formula C14H13BrFN3O and a molecular weight of 338.17 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID62167609
Molecular FormulaC14H13BrFN3O
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCCNC1=C(C=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)F
InChIInChI=1S/C14H13BrFN3O/c1-2-17-13-12(7-9(15)8-18-13)14(20)19-11-5-3-10(16)4-6-11/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyKVRRZLOJCRZIFH-UHFFFAOYSA-N
XLogP3.70
TPSA54.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity324

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 62167609) is 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide is CCNC1=C(C=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)F.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is KVRRZLOJCRZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-2-17-13-12(7-9(15)8-18-13)14(20)19-11-5-3-10(16)4-6-11/h3-8H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 338.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62167609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).