1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol

C25H31N5O2 — CID 69402471

IUPAC1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCCC(CNCC=Cc4ccccn4)C3)c2n1
InChIInChI=1S/C25H31N5O2/c1-32-24-10-9-22-25(29-24)21(11-14-28-22)23(31)18-30-15-5-6-19(17-30)16-26-12-4-8-20-7-2-3-13-27-20/h2-4,7-11,13-14,19,23,26,31H,5-6,12,15-18H2,1H3
InChIKeyLRGPGRKXDRMLON-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.08
Rot. Bonds9

About 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol

1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol (PubChem CID 69402471) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol
PubChem CID69402471
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCCC(CNCC=Cc4ccccn4)C3)c2n1
InChIInChI=1S/C25H31N5O2/c1-32-24-10-9-22-25(29-24)21(11-14-28-22)23(31)18-30-15-5-6-19(17-30)16-26-12-4-8-20-7-2-3-13-27-20/h2-4,7-11,13-14,19,23,26,31H,5-6,12,15-18H2,1H3
InChIKeyLRGPGRKXDRMLON-UHFFFAOYSA-N
XLogP3.08
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol (CID 69402471) is 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol is COc1ccc2nccc(C(O)CN3CCCC(CNCC=Cc4ccccn4)C3)c2n1.
What is the InChIKey of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol?
The InChIKey is LRGPGRKXDRMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-24-10-9-22-25(29-24)21(11-14-28-22)23(31)18-30-15-5-6-19(17-30)16-26-12-4-8-20-7-2-3-13-27-20/h2-4,7-11,13-14,19,23,26,31H,5-6,12,15-18H2,1H3.
What are the key properties of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol?
1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol has a molecular weight of 433.56 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[3-[(3-pyridin-2-ylprop-2-enylamino)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 69402471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).