8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine

C20H24ClNO — CID 145024993

IUPAC8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine
SMILESC=C1C=C(c2ccc(Cl)cc2)OC2=C1CN(C)CC2CCCC
InChIInChI=1S/C20H24ClNO/c1-4-5-6-16-12-22(3)13-18-14(2)11-19(23-20(16)18)15-7-9-17(21)10-8-15/h7-11,16H,2,4-6,12-13H2,1,3H3
InChIKeyNBZGKIXTQFEVFM-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.27
Rot. Bonds4

About 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine

8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine (PubChem CID 145024993) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine
PubChem CID145024993
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine
SMILESC=C1C=C(c2ccc(Cl)cc2)OC2=C1CN(C)CC2CCCC
InChIInChI=1S/C20H24ClNO/c1-4-5-6-16-12-22(3)13-18-14(2)11-19(23-20(16)18)15-7-9-17(21)10-8-15/h7-11,16H,2,4-6,12-13H2,1,3H3
InChIKeyNBZGKIXTQFEVFM-UHFFFAOYSA-N
XLogP5.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 24874575
CID 24874575
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CID 44404634
CID 44404634
CID 72793447
CID 72793447
CID 72793446
CID 72793446
CID 11631099
CID 11631099
CID 24874576
CID 24874576
CID 94920572
CID 94920572
CID 54605661
CID 54605661
CID 5011178
CID 5011178
CID 49767177
CID 49767177
CID 56764601
CID 56764601

Frequently Asked Questions

What is the IUPAC name of 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine?
The IUPAC name of 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine (CID 145024993) is 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine.
What is the SMILES notation for 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine?
The canonical SMILES for 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine is C=C1C=C(c2ccc(Cl)cc2)OC2=C1CN(C)CC2CCCC.
What is the InChIKey of 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine?
The InChIKey is NBZGKIXTQFEVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-4-5-6-16-12-22(3)13-18-14(2)11-19(23-20(16)18)15-7-9-17(21)10-8-15/h7-11,16H,2,4-6,12-13H2,1,3H3.
What are the key properties of 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine?
8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine has a molecular weight of 329.87 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 145024993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).