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

C24H18F2N4O4 — CID 25218741

IUPACN-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1CO
InChIInChI=1S/C24H18F2N4O4/c25-14-3-6-16(7-4-14)30-11-1-2-17(24(30)33)23(32)29-15-5-8-21(19(26)12-15)34-20-9-10-28-22(27)18(20)13-31/h1-12,31H,13H2,(H2,27,28)(H,29,32)
InChIKeyVPXBAJIRWPFIFV-UHFFFAOYSA-N
MW464.43 g/mol
LogP3.63
Rot. Bonds6

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

N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 25218741) has the molecular formula C24H18F2N4O4 and a molecular weight of 464.43 g/mol. Its IUPAC name is N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID25218741
Molecular FormulaC24H18F2N4O4
Molecular Weight464.43 g/mol
Exact Mass464.13
IUPAC NameN-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1CO
InChIInChI=1S/C24H18F2N4O4/c25-14-3-6-16(7-4-14)30-11-1-2-17(24(30)33)23(32)29-15-5-8-21(19(26)12-15)34-20-9-10-28-22(27)18(20)13-31/h1-12,31H,13H2,(H2,27,28)(H,29,32)
InChIKeyVPXBAJIRWPFIFV-UHFFFAOYSA-N
XLogP3.63
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 25218741) is N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1CO.
What is the InChIKey of N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is VPXBAJIRWPFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O4/c25-14-3-6-16(7-4-14)30-11-1-2-17(24(30)33)23(32)29-15-5-8-21(19(26)12-15)34-20-9-10-28-22(27)18(20)13-31/h1-12,31H,13H2,(H2,27,28)(H,29,32).
What are the key properties of N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 464.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-3-(hydroxymethyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 25218741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).