1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid

C25H29N5O7 — CID 161010308

IUPAC1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid
SMILESCOc1ccc2nccc(N3CCC(NCCOc4ccccc4)CC3C(N)=O)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C23H27N5O3.C2H2O4/c1-30-21-8-7-18-22(27-21)19(9-11-26-18)28-13-10-16(15-20(28)23(24)29)25-12-14-31-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-9,11,16,20,25H,10,12-15H2,1H3,(H2,24,29);(H,3,4)(H,5,6)
InChIKeyBVVONHCOUAJCQE-UHFFFAOYSA-N
MW511.54 g/mol
LogP1.29
Rot. Bonds8

About 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid

1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid (PubChem CID 161010308) has the molecular formula C25H29N5O7 and a molecular weight of 511.54 g/mol. Its IUPAC name is 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid
PubChem CID161010308
Molecular FormulaC25H29N5O7
Molecular Weight511.54 g/mol
Exact Mass511.21
IUPAC Name1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid
SMILESCOc1ccc2nccc(N3CCC(NCCOc4ccccc4)CC3C(N)=O)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C23H27N5O3.C2H2O4/c1-30-21-8-7-18-22(27-21)19(9-11-26-18)28-13-10-16(15-20(28)23(24)29)25-12-14-31-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-9,11,16,20,25H,10,12-15H2,1H3,(H2,24,29);(H,3,4)(H,5,6)
InChIKeyBVVONHCOUAJCQE-UHFFFAOYSA-N
XLogP1.29
TPSA177.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid?
The IUPAC name of 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid (CID 161010308) is 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid.
What is the SMILES notation for 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid?
The canonical SMILES for 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid is COc1ccc2nccc(N3CCC(NCCOc4ccccc4)CC3C(N)=O)c2n1.O=C(O)C(=O)O.
What is the InChIKey of 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid?
The InChIKey is BVVONHCOUAJCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3.C2H2O4/c1-30-21-8-7-18-22(27-21)19(9-11-26-18)28-13-10-16(15-20(28)23(24)29)25-12-14-31-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-9,11,16,20,25H,10,12-15H2,1H3,(H2,24,29);(H,3,4)(H,5,6).
What are the key properties of 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid?
1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid has a molecular weight of 511.54 g/mol, XLogP of 1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,5-naphthyridin-4-yl)-4-(2-phenoxyethylamino)piperidine-2-carboxamide;oxalic acid is sourced from PubChem (CID 161010308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).