N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide

C17H18N2O — CID 143888757

IUPACN-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide
SMILESO=CNc1c2cc(-c3cccnc3)cc1CCCCC2
InChIInChI=1S/C17H18N2O/c20-12-19-17-13-5-2-1-3-6-14(17)10-16(9-13)15-7-4-8-18-11-15/h4,7-12H,1-3,5-6H2,(H,19,20)
InChIKeyZGWQXVJWGFPEHU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds3

About N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide

N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide (PubChem CID 143888757) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide.

Molecular Properties

Compound NameN-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide
PubChem CID143888757
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide
SMILESO=CNc1c2cc(-c3cccnc3)cc1CCCCC2
InChIInChI=1S/C17H18N2O/c20-12-19-17-13-5-2-1-3-6-14(17)10-16(9-13)15-7-4-8-18-11-15/h4,7-12H,1-3,5-6H2,(H,19,20)
InChIKeyZGWQXVJWGFPEHU-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
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3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
7-pyridin-3-yl-9-pyridin-4-yl-4,5-dihydro-3H-1-benzazepine
CID 178156348
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde
CID 143833301
N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
CID 174849944
cyclopenta[c]azepine
CID 638010
8-nitroso-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 143888685
6-pyridin-3-yl-12λ6-thia-1,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene 12,12-dioxide
CID 58255659
1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714841

Frequently Asked Questions

What is the IUPAC name of N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide?
The IUPAC name of N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide (CID 143888757) is N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide.
What is the SMILES notation for N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide?
The canonical SMILES for N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide is O=CNc1c2cc(-c3cccnc3)cc1CCCCC2.
What is the InChIKey of N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide?
The InChIKey is ZGWQXVJWGFPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-12-19-17-13-5-2-1-3-6-14(17)10-16(9-13)15-7-4-8-18-11-15/h4,7-12H,1-3,5-6H2,(H,19,20).
What are the key properties of N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide?
N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide has a molecular weight of 266.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide is sourced from PubChem (CID 143888757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).