2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

C24H31N5O3 — CID 135312456

IUPAC2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(NCCCc1ccc2c(n1)NCCC2)C1CCN(C(C(=O)O)c2ccccn2)CC1
InChIInChI=1S/C24H31N5O3/c30-23(27-14-4-6-19-9-8-17-5-3-13-26-22(17)28-19)18-10-15-29(16-11-18)21(24(31)32)20-7-1-2-12-25-20/h1-2,7-9,12,18,21H,3-6,10-11,13-16H2,(H,26,28)(H,27,30)(H,31,32)
InChIKeyMFGJVXSPPNPTCA-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.42
Rot. Bonds8

About 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (PubChem CID 135312456) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
PubChem CID135312456
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(NCCCc1ccc2c(n1)NCCC2)C1CCN(C(C(=O)O)c2ccccn2)CC1
InChIInChI=1S/C24H31N5O3/c30-23(27-14-4-6-19-9-8-17-5-3-13-26-22(17)28-19)18-10-15-29(16-11-18)21(24(31)32)20-7-1-2-12-25-20/h1-2,7-9,12,18,21H,3-6,10-11,13-16H2,(H,26,28)(H,27,30)(H,31,32)
InChIKeyMFGJVXSPPNPTCA-UHFFFAOYSA-N
XLogP2.42
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (CID 135312456) is 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is O=C(NCCCc1ccc2c(n1)NCCC2)C1CCN(C(C(=O)O)c2ccccn2)CC1.
What is the InChIKey of 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
The InChIKey is MFGJVXSPPNPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c30-23(27-14-4-6-19-9-8-17-5-3-13-26-22(17)28-19)18-10-15-29(16-11-18)21(24(31)32)20-7-1-2-12-25-20/h1-2,7-9,12,18,21H,3-6,10-11,13-16H2,(H,26,28)(H,27,30)(H,31,32).
What are the key properties of 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 437.54 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135312456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).