1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol

C24H29N5O2 — CID 10223841

IUPAC1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCC(NC/C=C/c4ccccn4)CC3)c2n1
InChIInChI=1S/C24H29N5O2/c1-31-23-8-7-21-24(28-23)20(9-14-27-21)22(30)17-29-15-10-19(11-16-29)26-13-4-6-18-5-2-3-12-25-18/h2-9,12,14,19,22,26,30H,10-11,13,15-17H2,1H3/b6-4+
InChIKeyYOANYCARKOUACP-GQCTYLIASA-N
MW419.53 g/mol
LogP2.83
Rot. Bonds8

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

1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol (PubChem CID 10223841) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol
PubChem CID10223841
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCC(NC/C=C/c4ccccn4)CC3)c2n1
InChIInChI=1S/C24H29N5O2/c1-31-23-8-7-21-24(28-23)20(9-14-27-21)22(30)17-29-15-10-19(11-16-29)26-13-4-6-18-5-2-3-12-25-18/h2-9,12,14,19,22,26,30H,10-11,13,15-17H2,1H3/b6-4+
InChIKeyYOANYCARKOUACP-GQCTYLIASA-N
XLogP2.83
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol?
The IUPAC name of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol (CID 10223841) is 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol?
The canonical SMILES for 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol is COc1ccc2nccc(C(O)CN3CCC(NC/C=C/c4ccccn4)CC3)c2n1.
What is the InChIKey of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol?
The InChIKey is YOANYCARKOUACP-GQCTYLIASA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-23-8-7-21-24(28-23)20(9-14-27-21)22(30)17-29-15-10-19(11-16-29)26-13-4-6-18-5-2-3-12-25-18/h2-9,12,14,19,22,26,30H,10-11,13,15-17H2,1H3/b6-4+.
What are the key properties of 1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol?
1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol has a molecular weight of 419.53 g/mol, XLogP of 2.83, 8 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-[4-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 10223841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).