3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid

C27H36N4O4 — CID 11754908

IUPAC3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid
SMILESCOc1ccc(C(CCC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)CC(=O)O)cn1
InChIInChI=1S/C27H36N4O4/c1-35-24-10-7-22(18-29-24)21(17-26(33)34)5-4-19-12-15-31(16-13-19)25(32)11-9-23-8-6-20-3-2-14-28-27(20)30-23/h6-8,10,18-19,21H,2-5,9,11-17H2,1H3,(H,28,30)(H,33,34)
InChIKeyPWKWFKGSSZXGOR-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.05
Rot. Bonds10

About 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid

3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid (PubChem CID 11754908) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid
PubChem CID11754908
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid
SMILESCOc1ccc(C(CCC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)CC(=O)O)cn1
InChIInChI=1S/C27H36N4O4/c1-35-24-10-7-22(18-29-24)21(17-26(33)34)5-4-19-12-15-31(16-13-19)25(32)11-9-23-8-6-20-3-2-14-28-27(20)30-23/h6-8,10,18-19,21H,2-5,9,11-17H2,1H3,(H,28,30)(H,33,34)
InChIKeyPWKWFKGSSZXGOR-UHFFFAOYSA-N
XLogP4.05
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid (CID 11754908) is 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid is COc1ccc(C(CCC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)CC(=O)O)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid?
The InChIKey is PWKWFKGSSZXGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-35-24-10-7-22(18-29-24)21(17-26(33)34)5-4-19-12-15-31(16-13-19)25(32)11-9-23-8-6-20-3-2-14-28-27(20)30-23/h6-8,10,18-19,21H,2-5,9,11-17H2,1H3,(H,28,30)(H,33,34).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid?
3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid has a molecular weight of 480.61 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid is sourced from PubChem (CID 11754908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).