N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide

C26H21ClF2N4O4 — CID 25218745

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
InChIInChI=1S/C26H21ClF2N4O4/c1-14(2)36-20-10-12-33(17-6-3-15(28)4-7-17)26(35)22(20)25(34)32-16-5-8-19(18(29)13-16)37-21-9-11-31-24(30)23(21)27/h3-14H,1-2H3,(H2,30,31)(H,32,34)
InChIKeyBBVQJPURZDEFJS-UHFFFAOYSA-N
MW526.93 g/mol
LogP5.58
Rot. Bonds7

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide (PubChem CID 25218745) has the molecular formula C26H21ClF2N4O4 and a molecular weight of 526.93 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide
PubChem CID25218745
Molecular FormulaC26H21ClF2N4O4
Molecular Weight526.93 g/mol
Exact Mass526.12
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
InChIInChI=1S/C26H21ClF2N4O4/c1-14(2)36-20-10-12-33(17-6-3-15(28)4-7-17)26(35)22(20)25(34)32-16-5-8-19(18(29)13-16)37-21-9-11-31-24(30)23(21)27/h3-14H,1-2H3,(H2,30,31)(H,32,34)
InChIKeyBBVQJPURZDEFJS-UHFFFAOYSA-N
XLogP5.58
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.93
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide (CID 25218745) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is BBVQJPURZDEFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N4O4/c1-14(2)36-20-10-12-33(17-6-3-15(28)4-7-17)26(35)22(20)25(34)32-16-5-8-19(18(29)13-16)37-21-9-11-31-24(30)23(21)27/h3-14H,1-2H3,(H2,30,31)(H,32,34).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 526.93 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-4-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 25218745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).