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

C26H22F2N4O3 — CID 25218743

IUPACN-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)c1c(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccnc1N
InChIInChI=1S/C26H22F2N4O3/c1-15(2)23-22(11-12-30-24(23)29)35-21-10-7-17(14-20(21)28)31-25(33)19-4-3-13-32(26(19)34)18-8-5-16(27)6-9-18/h3-15H,1-2H3,(H2,29,30)(H,31,33)
InChIKeyQMOGEPGUFJEMKX-UHFFFAOYSA-N
MW476.48 g/mol
LogP5.26
Rot. Bonds6

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

N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 25218743) has the molecular formula C26H22F2N4O3 and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID25218743
Molecular FormulaC26H22F2N4O3
Molecular Weight476.48 g/mol
Exact Mass476.17
IUPAC NameN-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)c1c(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccnc1N
InChIInChI=1S/C26H22F2N4O3/c1-15(2)23-22(11-12-30-24(23)29)35-21-10-7-17(14-20(21)28)31-25(33)19-4-3-13-32(26(19)34)18-8-5-16(27)6-9-18/h3-15H,1-2H3,(H2,29,30)(H,31,33)
InChIKeyQMOGEPGUFJEMKX-UHFFFAOYSA-N
XLogP5.26
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
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CID 21081760
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 25218743) is N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CC(C)c1c(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccnc1N.
What is the InChIKey of N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is QMOGEPGUFJEMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3/c1-15(2)23-22(11-12-30-24(23)29)35-21-10-7-17(14-20(21)28)31-25(33)19-4-3-13-32(26(19)34)18-8-5-16(27)6-9-18/h3-15H,1-2H3,(H2,29,30)(H,31,33).
What are the key properties of N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 476.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-propan-2-yl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 25218743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).