2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide

C14H14FN3O2 — CID 105384040

IUPAC2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C14H14FN3O2/c1-2-20-11-6-4-3-5-10(11)18-14(19)9-7-8-17-13(16)12(9)15/h3-8H,2H2,1H3,(H2,16,17)(H,18,19)
InChIKeyAVYFVXVOEGQQGY-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide

2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105384040) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105384040
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C14H14FN3O2/c1-2-20-11-6-4-3-5-10(11)18-14(19)9-7-8-17-13(16)12(9)15/h3-8H,2H2,1H3,(H2,16,17)(H,18,19)
InChIKeyAVYFVXVOEGQQGY-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide (CID 105384040) is 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is AVYFVXVOEGQQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-20-11-6-4-3-5-10(11)18-14(19)9-7-8-17-13(16)12(9)15/h3-8H,2H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).