4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid

C25H27F2N5O7 — CID 44535050

IUPAC4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCC(NCCOc4cc(F)cc(F)c4)CC3)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C23H25F2N5O3.C2H2O4/c1-32-21-3-2-19-22(29-21)20(4-7-27-19)28-23(31)30-9-5-17(6-10-30)26-8-11-33-18-13-15(24)12-16(25)14-18;3-1(4)2(5)6/h2-4,7,12-14,17,26H,5-6,8-11H2,1H3,(H,27,28,31);(H,3,4)(H,5,6)
InChIKeyKRNCYAPQJWWUTM-UHFFFAOYSA-N
MW547.52 g/mol
LogP2.74
Rot. Bonds7

About 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid

4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid (PubChem CID 44535050) has the molecular formula C25H27F2N5O7 and a molecular weight of 547.52 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
PubChem CID44535050
Molecular FormulaC25H27F2N5O7
Molecular Weight547.52 g/mol
Exact Mass547.19
IUPAC Name4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCC(NCCOc4cc(F)cc(F)c4)CC3)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C23H25F2N5O3.C2H2O4/c1-32-21-3-2-19-22(29-21)20(4-7-27-19)28-23(31)30-9-5-17(6-10-30)26-8-11-33-18-13-15(24)12-16(25)14-18;3-1(4)2(5)6/h2-4,7,12-14,17,26H,5-6,8-11H2,1H3,(H,27,28,31);(H,3,4)(H,5,6)
InChIKeyKRNCYAPQJWWUTM-UHFFFAOYSA-N
XLogP2.74
TPSA163.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.52
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
The IUPAC name of 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid (CID 44535050) is 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid.
What is the SMILES notation for 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
The canonical SMILES for 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid is COc1ccc2nccc(NC(=O)N3CCC(NCCOc4cc(F)cc(F)c4)CC3)c2n1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
The InChIKey is KRNCYAPQJWWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3.C2H2O4/c1-32-21-3-2-19-22(29-21)20(4-7-27-19)28-23(31)30-9-5-17(6-10-30)26-8-11-33-18-13-15(24)12-16(25)14-18;3-1(4)2(5)6/h2-4,7,12-14,17,26H,5-6,8-11H2,1H3,(H,27,28,31);(H,3,4)(H,5,6).
What are the key properties of 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid has a molecular weight of 547.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenoxy)ethylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid is sourced from PubChem (CID 44535050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).