(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine

C25H29N3 — CID 145195886

IUPAC(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine
SMILESC=C/C=C(C=C)/C(=N\c1ccc2c(n1)CCN(C(C)(C)C)C2)c1ccccc1
InChIInChI=1S/C25H29N3/c1-6-11-19(7-2)24(20-12-9-8-10-13-20)27-23-15-14-21-18-28(25(3,4)5)17-16-22(21)26-23/h6-15H,1-2,16-18H2,3-5H3/b19-11+,27-24+
InChIKeyNPYMZVHKCNOVEL-HLLMEXKNSA-N
MW371.53 g/mol
LogP5.66
Rot. Bonds5

About (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine

(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine (PubChem CID 145195886) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine
PubChem CID145195886
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine
SMILESC=C/C=C(C=C)/C(=N\c1ccc2c(n1)CCN(C(C)(C)C)C2)c1ccccc1
InChIInChI=1S/C25H29N3/c1-6-11-19(7-2)24(20-12-9-8-10-13-20)27-23-15-14-21-18-28(25(3,4)5)17-16-22(21)26-23/h6-15H,1-2,16-18H2,3-5H3/b19-11+,27-24+
InChIKeyNPYMZVHKCNOVEL-HLLMEXKNSA-N
XLogP5.66
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine (CID 145195886) is (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine is C=C/C=C(C=C)/C(=N\c1ccc2c(n1)CCN(C(C)(C)C)C2)c1ccccc1.
What is the InChIKey of (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine?
The InChIKey is NPYMZVHKCNOVEL-HLLMEXKNSA-N. The full InChI is InChI=1S/C25H29N3/c1-6-11-19(7-2)24(20-12-9-8-10-13-20)27-23-15-14-21-18-28(25(3,4)5)17-16-22(21)26-23/h6-15H,1-2,16-18H2,3-5H3/b19-11+,27-24+.
What are the key properties of (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine?
(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine has a molecular weight of 371.53 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 145195886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).