3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine

C21H22N2 — CID 10614333

IUPAC3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine
SMILESC(#Cc1cccnc1)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H22N2/c1-4-10-20(11-5-1)21-12-16-23(17-13-21)15-6-2-3-8-19-9-7-14-22-18-19/h1,4-5,7,9-12,14,18H,2,6,13,15-17H2
InChIKeyHJIACVVLQLKTJY-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.00
Rot. Bonds4

About 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine

3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine (PubChem CID 10614333) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine.

Molecular Properties

Compound Name3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine
PubChem CID10614333
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine
SMILESC(#Cc1cccnc1)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H22N2/c1-4-10-20(11-5-1)21-12-16-23(17-13-21)15-6-2-3-8-19-9-7-14-22-18-19/h1,4-5,7,9-12,14,18H,2,6,13,15-17H2
InChIKeyHJIACVVLQLKTJY-UHFFFAOYSA-N
XLogP4.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nicotine
CID 89594
Cetylpyridinium Chloride
CID 31239
Paraquat dichloride
CID 15938
Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Zimelidine
CID 5365247
Cetylpyridinium Bromide
CID 8816
Paraquat
CID 15939
Myosmine
CID 442649
Azatadine
CID 19861

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine?
The IUPAC name of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine (CID 10614333) is 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine.
What is the SMILES notation for 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine?
The canonical SMILES for 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine is C(#Cc1cccnc1)CCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine?
The InChIKey is HJIACVVLQLKTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-4-10-20(11-5-1)21-12-16-23(17-13-21)15-6-2-3-8-19-9-7-14-22-18-19/h1,4-5,7,9-12,14,18H,2,6,13,15-17H2.
What are the key properties of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine?
3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine has a molecular weight of 302.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine is sourced from PubChem (CID 10614333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).