4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine

C16H26N2O — CID 57114351

IUPAC4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine
SMILESCCCCCN1CC=C(c2c[nH]c(OCC)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-5-6-9-18-10-7-14(8-11-18)15-12-16(17-13-15)19-4-2/h7,12-13,17H,3-6,8-11H2,1-2H3
InChIKeyWGNDSMRRZWZENC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.69
Rot. Bonds7

About 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine

4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine (PubChem CID 57114351) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine
PubChem CID57114351
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine
SMILESCCCCCN1CC=C(c2c[nH]c(OCC)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-5-6-9-18-10-7-14(8-11-18)15-12-16(17-13-15)19-4-2/h7,12-13,17H,3-6,8-11H2,1-2H3
InChIKeyWGNDSMRRZWZENC-UHFFFAOYSA-N
XLogP3.69
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
1-pentyl-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003251
1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 143598586
3-[2-[4-(4-butoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethylsulfanylmethyl]-1H-indole
CID 57241611
ethyl 7-chloro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-4-carboxylate
CID 67883037
5-(3-butoxyphenyl)sulfanyl-3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 19710019
ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
CID 142687394
1-[2-(4-butoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 70077325
ethyl 3-[4-[2-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoate
CID 142687279
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine (CID 57114351) is 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine is CCCCCN1CC=C(c2c[nH]c(OCC)c2)CC1.
What is the InChIKey of 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine?
The InChIKey is WGNDSMRRZWZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-6-9-18-10-7-14(8-11-18)15-12-16(17-13-15)19-4-2/h7,12-13,17H,3-6,8-11H2,1-2H3.
What are the key properties of 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine?
4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine has a molecular weight of 262.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 57114351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).