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

C31H24F2N4O4 — CID 164863263

IUPACN-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(-c2ccc(O)c(-c3ccnc(N)c3)c2)c(F)c1
InChIInChI=1S/C31H24F2N4O4/c1-2-41-27-12-14-37(22-7-4-20(32)5-8-22)31(40)29(27)30(39)36-21-6-9-23(25(33)17-21)18-3-10-26(38)24(15-18)19-11-13-35-28(34)16-19/h3-17,38H,2H2,1H3,(H2,34,35)(H,36,39)
InChIKeyGPQDOCUMQGZXGS-UHFFFAOYSA-N
MW554.55 g/mol
LogP5.78
Rot. Bonds7

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

N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 164863263) has the molecular formula C31H24F2N4O4 and a molecular weight of 554.55 g/mol. Its IUPAC name is N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID164863263
Molecular FormulaC31H24F2N4O4
Molecular Weight554.55 g/mol
Exact Mass554.18
IUPAC NameN-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(-c2ccc(O)c(-c3ccnc(N)c3)c2)c(F)c1
InChIInChI=1S/C31H24F2N4O4/c1-2-41-27-12-14-37(22-7-4-20(32)5-8-22)31(40)29(27)30(39)36-21-6-9-23(25(33)17-21)18-3-10-26(38)24(15-18)19-11-13-35-28(34)16-19/h3-17,38H,2H2,1H3,(H2,34,35)(H,36,39)
InChIKeyGPQDOCUMQGZXGS-UHFFFAOYSA-N
XLogP5.78
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.55
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(2-amino-4-pyridinyl)-4-methoxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 164863291
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 86288903
4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156759319
N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155006613
4-ethoxy-N-[3-fluoro-4-[[5-(3-methoxypropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156759254
[4-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenyl] dihydrogen phosphate
CID 155006610
4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156759352
N-[4-[[5-[3-(dimethylamino)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 163991200
[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenyl] diethyl phosphate
CID 154998159
4-ethoxy-N-[4-[(E)-1-[3-(3-ethylsulfanylphenyl)-1H-pyrrol-2-yl]-3-iminoprop-1-enoxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 144803892
N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 162425182
disodium;[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenoxy]methyl phosphate
CID 172761570

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 164863263) is N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-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-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(-c2ccc(O)c(-c3ccnc(N)c3)c2)c(F)c1.
What is the InChIKey of N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is GPQDOCUMQGZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N4O4/c1-2-41-27-12-14-37(22-7-4-20(32)5-8-22)31(40)29(27)30(39)36-21-6-9-23(25(33)17-21)18-3-10-26(38)24(15-18)19-11-13-35-28(34)16-19/h3-17,38H,2H2,1H3,(H2,34,35)(H,36,39).
What are the key properties of N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[3-(2-amino-4-pyridinyl)-4-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 554.55 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 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-hydroxyphenyl]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 164863263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).