6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine

C21H21N3 — CID 129042268

IUPAC6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine
SMILESC=Cc1nc(N)c2ncc(CCc3ccccc3)cc2c1/C=C\C
InChIInChI=1S/C21H21N3/c1-3-8-17-18-13-16(12-11-15-9-6-5-7-10-15)14-23-20(18)21(22)24-19(17)4-2/h3-10,13-14H,2,11-12H2,1H3,(H2,22,24)/b8-3-
InChIKeyQRABVMHVIYCZES-BAQGIRSFSA-N
MW315.42 g/mol
LogP4.67
Rot. Bonds5

About 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine

6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine (PubChem CID 129042268) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine.

Molecular Properties

Compound Name6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine
PubChem CID129042268
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine
SMILESC=Cc1nc(N)c2ncc(CCc3ccccc3)cc2c1/C=C\C
InChIInChI=1S/C21H21N3/c1-3-8-17-18-13-16(12-11-15-9-6-5-7-10-15)14-23-20(18)21(22)24-19(17)4-2/h3-10,13-14H,2,11-12H2,1H3,(H2,22,24)/b8-3-
InChIKeyQRABVMHVIYCZES-BAQGIRSFSA-N
XLogP4.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine?
The IUPAC name of 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine (CID 129042268) is 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine.
What is the SMILES notation for 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine?
The canonical SMILES for 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine is C=Cc1nc(N)c2ncc(CCc3ccccc3)cc2c1/C=C\C.
What is the InChIKey of 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine?
The InChIKey is QRABVMHVIYCZES-BAQGIRSFSA-N. The full InChI is InChI=1S/C21H21N3/c1-3-8-17-18-13-16(12-11-15-9-6-5-7-10-15)14-23-20(18)21(22)24-19(17)4-2/h3-10,13-14H,2,11-12H2,1H3,(H2,22,24)/b8-3-.
What are the key properties of 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine?
6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine has a molecular weight of 315.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-1,7-naphthyridin-8-amine is sourced from PubChem (CID 129042268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).