1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one

C28H32N4O — CID 142225531

IUPAC1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)CNc1cc(=O)c2c(C)cc(N3CCCCC3)nc2n1Cc1ccccc1
InChIInChI=1S/C28H32N4O/c1-4-12-22(5-2)19-29-25-18-24(33)27-21(3)17-26(31-15-10-7-11-16-31)30-28(27)32(25)20-23-13-8-6-9-14-23/h4-6,8-9,12-14,17-18,29H,1-2,7,10-11,15-16,19-20H2,3H3/b22-12+
InChIKeyDSJNLPIYDYPPEP-WSDLNYQXSA-N
MW440.59 g/mol
LogP5.45
Rot. Bonds8

About 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one

1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one (PubChem CID 142225531) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one
PubChem CID142225531
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)CNc1cc(=O)c2c(C)cc(N3CCCCC3)nc2n1Cc1ccccc1
InChIInChI=1S/C28H32N4O/c1-4-12-22(5-2)19-29-25-18-24(33)27-21(3)17-26(31-15-10-7-11-16-31)30-28(27)32(25)20-23-13-8-6-9-14-23/h4-6,8-9,12-14,17-18,29H,1-2,7,10-11,15-16,19-20H2,3H3/b22-12+
InChIKeyDSJNLPIYDYPPEP-WSDLNYQXSA-N
XLogP5.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
The IUPAC name of 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one (CID 142225531) is 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one is C=C/C=C(\C=C)CNc1cc(=O)c2c(C)cc(N3CCCCC3)nc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
The InChIKey is DSJNLPIYDYPPEP-WSDLNYQXSA-N. The full InChI is InChI=1S/C28H32N4O/c1-4-12-22(5-2)19-29-25-18-24(33)27-21(3)17-26(31-15-10-7-11-16-31)30-28(27)32(25)20-23-13-8-6-9-14-23/h4-6,8-9,12-14,17-18,29H,1-2,7,10-11,15-16,19-20H2,3H3/b22-12+.
What are the key properties of 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one has a molecular weight of 440.59 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 142225531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).