1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane

C25H28N2 — CID 70379017

IUPAC1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane
SMILESCCc1cnc(/C=C\c2cccc3ccccc23)cc1N1CCCCCC1
InChIInChI=1S/C25H28N2/c1-2-20-19-26-23(18-25(20)27-16-7-3-4-8-17-27)15-14-22-12-9-11-21-10-5-6-13-24(21)22/h5-6,9-15,18-19H,2-4,7-8,16-17H2,1H3/b15-14-
InChIKeyILFQQUSONNHSDA-PFONDFGASA-N
MW356.51 g/mol
LogP6.35
Rot. Bonds4

About 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane

1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane (PubChem CID 70379017) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane.

Molecular Properties

Compound Name1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane
PubChem CID70379017
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane
SMILESCCc1cnc(/C=C\c2cccc3ccccc23)cc1N1CCCCCC1
InChIInChI=1S/C25H28N2/c1-2-20-19-26-23(18-25(20)27-16-7-3-4-8-17-27)15-14-22-12-9-11-21-10-5-6-13-24(21)22/h5-6,9-15,18-19H,2-4,7-8,16-17H2,1H3/b15-14-
InChIKeyILFQQUSONNHSDA-PFONDFGASA-N
XLogP6.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride
CID 14441280
1-[5-methyl-2-(2-naphthalen-1-ylethenyl)-4-pyridinyl]azepane;hydrochloride
CID 70379048
5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride
CID 14441254
5-methyl-2-[(Z)-2-(5-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine
CID 14441211
5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine
CID 70379069
5-methyl-2-[(Z)-2-(5-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
CID 14441212
5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
CID 14441268
5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
CID 70379031
2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
CID 54040144
3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride
CID 14501349
2-[(Z)-2-(2,3-dichlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
CID 14441317
4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
CID 67805142

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane?
The IUPAC name of 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane (CID 70379017) is 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane.
What is the SMILES notation for 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane?
The canonical SMILES for 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane is CCc1cnc(/C=C\c2cccc3ccccc23)cc1N1CCCCCC1.
What is the InChIKey of 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane?
The InChIKey is ILFQQUSONNHSDA-PFONDFGASA-N. The full InChI is InChI=1S/C25H28N2/c1-2-20-19-26-23(18-25(20)27-16-7-3-4-8-17-27)15-14-22-12-9-11-21-10-5-6-13-24(21)22/h5-6,9-15,18-19H,2-4,7-8,16-17H2,1H3/b15-14-.
What are the key properties of 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane?
1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane has a molecular weight of 356.51 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane is sourced from PubChem (CID 70379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).