N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide

C25H19ClF2N4O5 — CID 25218746

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
InChIInChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34)
InChIKeyOWZVZGPZNVFUJF-UHFFFAOYSA-N
MW528.90 g/mol
LogP4.16
Rot. Bonds8

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide (PubChem CID 25218746) has the molecular formula C25H19ClF2N4O5 and a molecular weight of 528.90 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide
PubChem CID25218746
Molecular FormulaC25H19ClF2N4O5
Molecular Weight528.90 g/mol
Exact Mass528.10
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
InChIInChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34)
InChIKeyOWZVZGPZNVFUJF-UHFFFAOYSA-N
XLogP4.16
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.90
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Bms-777607
CID 24794418
N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 44155856
N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218744
N-{4-[(2-amino-3-ethynylpyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218742
N-{4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218737
N-(4-{[2-amino-3-(3-aminoprop-1-yn-1-yl)pyridin-4-yl]oxy}-3-fluorophenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218739
N-(4-((2-Amino-3-(hydroxymethyl)-4-pyridinyl)oxy)-3-fluorophenyl)-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide
CID 25218741
N-[4-({2-amino-3-[(4-methylpiperazin-1-yl)methyl]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218738
N-(4-{[2-amino-3-(3-hydroxyprop-1-yn-1-yl)pyridin-4-yl]oxy}-3-fluorophenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218740
N-(4-{[2-amino-3-(propan-2-yl)pyridin-4-yl]oxy}-3-fluorophenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218743
N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-4-(propan-2-yloxy)-1,2-dihydropyridine-3-carboxamide
CID 25218745
N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 155524868

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide (CID 25218746) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
The InChIKey is OWZVZGPZNVFUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide has a molecular weight of 528.90 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 25218746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).