N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide

C25H21ClF2N4O3 — CID 90338904

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
SMILESCCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)CN(c2ccc(F)cc2)C=C1
InChIInChI=1S/C25H21ClF2N4O3/c1-2-34-20-10-12-32(17-6-3-15(27)4-7-17)14-18(20)25(33)31-16-5-8-21(19(28)13-16)35-22-9-11-30-24(29)23(22)26/h3-13H,2,14H2,1H3,(H2,29,30)(H,31,33)
InChIKeyTVBRMVVHIDOXNG-UHFFFAOYSA-N
MW498.92 g/mol
LogP5.65
Rot. Bonds7

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide (PubChem CID 90338904) has the molecular formula C25H21ClF2N4O3 and a molecular weight of 498.92 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
PubChem CID90338904
Molecular FormulaC25H21ClF2N4O3
Molecular Weight498.92 g/mol
Exact Mass498.13
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
SMILESCCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)CN(c2ccc(F)cc2)C=C1
InChIInChI=1S/C25H21ClF2N4O3/c1-2-34-20-10-12-32(17-6-3-15(27)4-7-17)14-18(20)25(33)31-16-5-8-21(19(28)13-16)35-22-9-11-30-24(29)23(22)26/h3-13H,2,14H2,1H3,(H2,29,30)(H,31,33)
InChIKeyTVBRMVVHIDOXNG-UHFFFAOYSA-N
XLogP5.65
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.92
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide (CID 90338904) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide is CCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)CN(c2ccc(F)cc2)C=C1.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide?
The InChIKey is TVBRMVVHIDOXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O3/c1-2-34-20-10-12-32(17-6-3-15(27)4-7-17)14-18(20)25(33)31-16-5-8-21(19(28)13-16)35-22-9-11-30-24(29)23(22)26/h3-13H,2,14H2,1H3,(H2,29,30)(H,31,33).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide has a molecular weight of 498.92 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 90338904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).