3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide

C20H26FN3O2 — CID 59436076

IUPAC3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide
SMILESCCOc1nccc(C(=O)N(C(C)C)C(C)C)c1-c1cc(F)ccc1N
InChIInChI=1S/C20H26FN3O2/c1-6-26-19-18(16-11-14(21)7-8-17(16)22)15(9-10-23-19)20(25)24(12(2)3)13(4)5/h7-13H,6,22H2,1-5H3
InChIKeyPZTZJVUOKBUCPE-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.13
Rot. Bonds6

About 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide

3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide (PubChem CID 59436076) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide
PubChem CID59436076
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide
SMILESCCOc1nccc(C(=O)N(C(C)C)C(C)C)c1-c1cc(F)ccc1N
InChIInChI=1S/C20H26FN3O2/c1-6-26-19-18(16-11-14(21)7-8-17(16)22)15(9-10-23-19)20(25)24(12(2)3)13(4)5/h7-13H,6,22H2,1-5H3
InChIKeyPZTZJVUOKBUCPE-UHFFFAOYSA-N
XLogP4.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide (CID 59436076) is 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide is CCOc1nccc(C(=O)N(C(C)C)C(C)C)c1-c1cc(F)ccc1N.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide?
The InChIKey is PZTZJVUOKBUCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-6-26-19-18(16-11-14(21)7-8-17(16)22)15(9-10-23-19)20(25)24(12(2)3)13(4)5/h7-13H,6,22H2,1-5H3.
What are the key properties of 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide?
3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)-2-ethoxy-N,N-di(propan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 59436076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).