2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide

C21H20FN3O2 — CID 71460185

IUPAC2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1cc(NC(=O)C(C)c2cccc(F)n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C21H20FN3O2/c1-13-11-15(9-10-23-13)17-8-7-16(12-19(17)27-3)24-21(26)14(2)18-5-4-6-20(22)25-18/h4-12,14H,1-3H3,(H,24,26)
InChIKeyLRRQWOUITVTVKQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.34
Rot. Bonds5

About 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 71460185) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID71460185
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1cc(NC(=O)C(C)c2cccc(F)n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C21H20FN3O2/c1-13-11-15(9-10-23-13)17-8-7-16(12-19(17)27-3)24-21(26)14(2)18-5-4-6-20(22)25-18/h4-12,14H,1-3H3,(H,24,26)
InChIKeyLRRQWOUITVTVKQ-UHFFFAOYSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 71460185) is 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide is COc1cc(NC(=O)C(C)c2cccc(F)n2)ccc1-c1ccnc(C)c1.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is LRRQWOUITVTVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-11-15(9-10-23-13)17-8-7-16(12-19(17)27-3)24-21(26)14(2)18-5-4-6-20(22)25-18/h4-12,14H,1-3H3,(H,24,26).
What are the key properties of 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 365.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 71460185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).