8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine

C21H26N4O — CID 171555281

IUPAC8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine
SMILESCCCC1C=C(C)C(c2cnc3c(/C=C/OCC)c(N)ncc3c2)=CN1
InChIInChI=1S/C21H26N4O/c1-4-6-17-9-14(3)19(13-23-17)15-10-16-12-25-21(22)18(7-8-26-5-2)20(16)24-11-15/h7-13,17,23H,4-6H2,1-3H3,(H2,22,25)/b8-7+
InChIKeyMUOBERDYQBOHPE-BQYQJAHWSA-N
MW350.47 g/mol
LogP4.28
Rot. Bonds6

About 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine

8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine (PubChem CID 171555281) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine
PubChem CID171555281
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine
SMILESCCCC1C=C(C)C(c2cnc3c(/C=C/OCC)c(N)ncc3c2)=CN1
InChIInChI=1S/C21H26N4O/c1-4-6-17-9-14(3)19(13-23-17)15-10-16-12-25-21(22)18(7-8-26-5-2)20(16)24-11-15/h7-13,17,23H,4-6H2,1-3H3,(H2,22,25)/b8-7+
InChIKeyMUOBERDYQBOHPE-BQYQJAHWSA-N
XLogP4.28
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-7-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-2,6-naphthyridin-3-amine
CID 171555181
1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one
CID 171555879
methyl 2-amino-5-bromo-3-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
CID 169206194
1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol
CID 171556070
2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
CID 11287109
N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171555073
5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine
CID 146404070
5-(2-ethoxyethenyl)pyrazin-2-amine
CID 123865887
6-(1-ethoxyethenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 144934441
CID 171556276
CID 171556276
8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 167021876
5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 177177894

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine?
The IUPAC name of 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine (CID 171555281) is 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine.
What is the SMILES notation for 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine?
The canonical SMILES for 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine is CCCC1C=C(C)C(c2cnc3c(/C=C/OCC)c(N)ncc3c2)=CN1.
What is the InChIKey of 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine?
The InChIKey is MUOBERDYQBOHPE-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-6-17-9-14(3)19(13-23-17)15-10-16-12-25-21(22)18(7-8-26-5-2)20(16)24-11-15/h7-13,17,23H,4-6H2,1-3H3,(H2,22,25)/b8-7+.
What are the key properties of 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine?
8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine has a molecular weight of 350.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine is sourced from PubChem (CID 171555281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).