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

C25H24N2O — CID 23596341

IUPACN-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCc1ccnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1
InChIInChI=1S/C25H24N2O/c1-3-16-12-13-26-22(14-16)27-24(28)25(2)15-21-17-8-4-6-10-19(17)23(25)20-11-7-5-9-18(20)21/h4-14,21,23H,3,15H2,1-2H3,(H,26,27,28)
InChIKeyUJJMCQRRUABOQU-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.27
Rot. Bonds3

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

N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23596341) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23596341
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC NameN-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCc1ccnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1
InChIInChI=1S/C25H24N2O/c1-3-16-12-13-26-22(14-16)27-24(28)25(2)15-21-17-8-4-6-10-19(17)23(25)20-11-7-5-9-18(20)21/h4-14,21,23H,3,15H2,1-2H3,(H,26,27,28)
InChIKeyUJJMCQRRUABOQU-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23596341) is N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CCc1ccnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1.
What is the InChIKey of N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is UJJMCQRRUABOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-3-16-12-13-26-22(14-16)27-24(28)25(2)15-21-17-8-4-6-10-19(17)23(25)20-11-7-5-9-18(20)21/h4-14,21,23H,3,15H2,1-2H3,(H,26,27,28).
What are the key properties of N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[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 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23596341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).