15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C25H24N2O — CID 142853960

IUPAC15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCC1(C(=O)NCc2ccccn2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H24N2O/c1-2-25(24(28)27-16-17-9-7-8-14-26-17)15-22-18-10-3-5-12-20(18)23(25)21-13-6-4-11-19(21)22/h3-14,22-23H,2,15-16H2,1H3,(H,27,28)
InChIKeyAUNLSNNGNGORIY-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.78
Rot. Bonds4

About 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 142853960) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID142853960
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCC1(C(=O)NCc2ccccn2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H24N2O/c1-2-25(24(28)27-16-17-9-7-8-14-26-17)15-22-18-10-3-5-12-20(18)23(25)21-13-6-4-11-19(21)22/h3-14,22-23H,2,15-16H2,1H3,(H,27,28)
InChIKeyAUNLSNNGNGORIY-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086099
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
(1R,2R,4S)-2-ethyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 154563589
1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973418
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976686

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 142853960) is 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CCC1(C(=O)NCc2ccccn2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is AUNLSNNGNGORIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-2-25(24(28)27-16-17-9-7-8-14-26-17)15-22-18-10-3-5-12-20(18)23(25)21-13-6-4-11-19(21)22/h3-14,22-23H,2,15-16H2,1H3,(H,27,28).
What are the key properties of 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 142853960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).