4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide

C20H18FN3O3 — CID 122539714

IUPAC4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide
SMILESCc1cc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H18FN3O3/c1-13-10-16(6-7-23-13)26-8-9-27-19-12-24-18(20(22)25)11-17(19)14-2-4-15(21)5-3-14/h2-7,10-12H,8-9H2,1H3,(H2,22,25)
InChIKeyRXGKSZNYGUAETJ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.15
Rot. Bonds7

About 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide (PubChem CID 122539714) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide
PubChem CID122539714
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide
SMILESCc1cc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H18FN3O3/c1-13-10-16(6-7-23-13)26-8-9-27-19-12-24-18(20(22)25)11-17(19)14-2-4-15(21)5-3-14/h2-7,10-12H,8-9H2,1H3,(H2,22,25)
InChIKeyRXGKSZNYGUAETJ-UHFFFAOYSA-N
XLogP3.15
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 45375925
4-tert-butyl-N-(6-pyridin-3-yloxypyridin-3-yl)benzamide
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CID 71305034
[3-(2-Tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 59577179
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4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-1-methyl-piperidin-4-ol
CID 9819930
N-(4-tert-butylphenyl)-4-(3-propoxypyridin-2-yl)benzamide
CID 44416971
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 46191662
CID 53240812
CID 53240812

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide (CID 122539714) is 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide is Cc1cc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide?
The InChIKey is RXGKSZNYGUAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-10-16(6-7-23-13)26-8-9-27-19-12-24-18(20(22)25)11-17(19)14-2-4-15(21)5-3-14/h2-7,10-12H,8-9H2,1H3,(H2,22,25).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[(2-methyl-4-pyridinyl)oxy]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).