N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C32H26F2N4O4 — CID 164863291

IUPACN-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(-c2ccc(OC)c(-c3ccnc(N)c3)c2)c(F)c1
InChIInChI=1S/C32H26F2N4O4/c1-3-42-28-13-15-38(23-8-5-21(33)6-9-23)32(40)30(28)31(39)37-22-7-10-24(26(34)18-22)19-4-11-27(41-2)25(16-19)20-12-14-36-29(35)17-20/h4-18H,3H2,1-2H3,(H2,35,36)(H,37,39)
InChIKeyROFIHUOVMBNOQX-UHFFFAOYSA-N
MW568.58 g/mol
LogP6.09
Rot. Bonds8

About N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 164863291) has the molecular formula C32H26F2N4O4 and a molecular weight of 568.58 g/mol. Its IUPAC name is N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID164863291
Molecular FormulaC32H26F2N4O4
Molecular Weight568.58 g/mol
Exact Mass568.19
IUPAC NameN-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(-c2ccc(OC)c(-c3ccnc(N)c3)c2)c(F)c1
InChIInChI=1S/C32H26F2N4O4/c1-3-42-28-13-15-38(23-8-5-21(33)6-9-23)32(40)30(28)31(39)37-22-7-10-24(26(34)18-22)19-4-11-27(41-2)25(16-19)20-12-14-36-29(35)17-20/h4-18H,3H2,1-2H3,(H2,35,36)(H,37,39)
InChIKeyROFIHUOVMBNOQX-UHFFFAOYSA-N
XLogP6.09
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.58
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 164863291) is N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(-c2ccc(OC)c(-c3ccnc(N)c3)c2)c(F)c1.
What is the InChIKey of N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is ROFIHUOVMBNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O4/c1-3-42-28-13-15-38(23-8-5-21(33)6-9-23)32(40)30(28)31(39)37-22-7-10-24(26(34)18-22)19-4-11-27(41-2)25(16-19)20-12-14-36-29(35)17-20/h4-18H,3H2,1-2H3,(H2,35,36)(H,37,39).
What are the key properties of N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 568.58 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 164863291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).