N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid

C26H29F2N5O7 — CID 44535067

IUPACN-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCC(=O)Nc4cc(F)cc(F)c4)CC3)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C24H27F2N5O3.C2H2O4/c1-34-23-3-2-20-24(30-23)19(4-7-27-20)21(32)14-31-8-5-17(6-9-31)28-13-22(33)29-18-11-15(25)10-16(26)12-18;3-1(4)2(5)6/h2-4,7,10-12,17,21,28,32H,5-6,8-9,13-14H2,1H3,(H,29,33);(H,3,4)(H,5,6)/t21-;/m0./s1
InChIKeyBRDLYDGFCNTNOC-BOXHHOBZSA-N
MW561.54 g/mol
LogP1.80
Rot. Bonds8

About N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid

N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid (PubChem CID 44535067) has the molecular formula C26H29F2N5O7 and a molecular weight of 561.54 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid
PubChem CID44535067
Molecular FormulaC26H29F2N5O7
Molecular Weight561.54 g/mol
Exact Mass561.20
IUPAC NameN-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCC(=O)Nc4cc(F)cc(F)c4)CC3)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C24H27F2N5O3.C2H2O4/c1-34-23-3-2-20-24(30-23)19(4-7-27-20)21(32)14-31-8-5-17(6-9-31)28-13-22(33)29-18-11-15(25)10-16(26)12-18;3-1(4)2(5)6/h2-4,7,10-12,17,21,28,32H,5-6,8-9,13-14H2,1H3,(H,29,33);(H,3,4)(H,5,6)/t21-;/m0./s1
InChIKeyBRDLYDGFCNTNOC-BOXHHOBZSA-N
XLogP1.80
TPSA174.21 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.54
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid?
The IUPAC name of N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid (CID 44535067) is N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid is COc1ccc2nccc([C@@H](O)CN3CCC(NCC(=O)Nc4cc(F)cc(F)c4)CC3)c2n1.O=C(O)C(=O)O.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid?
The InChIKey is BRDLYDGFCNTNOC-BOXHHOBZSA-N. The full InChI is InChI=1S/C24H27F2N5O3.C2H2O4/c1-34-23-3-2-20-24(30-23)19(4-7-27-20)21(32)14-31-8-5-17(6-9-31)28-13-22(33)29-18-11-15(25)10-16(26)12-18;3-1(4)2(5)6/h2-4,7,10-12,17,21,28,32H,5-6,8-9,13-14H2,1H3,(H,29,33);(H,3,4)(H,5,6)/t21-;/m0./s1.
What are the key properties of N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid?
N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid has a molecular weight of 561.54 g/mol, XLogP of 1.80, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid is sourced from PubChem (CID 44535067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).