N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H23N3O — CID 23596316

IUPACN-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)nc(C)c1C#N
InChIInChI=1S/C26H23N3O/c1-15-12-23(28-16(2)22(15)14-27)29-25(30)26(3)13-21-17-8-4-6-10-19(17)24(26)20-11-7-5-9-18(20)21/h4-12,21,24H,13H2,1-3H3,(H,28,29,30)
InChIKeyOACHLTMXCUZXHC-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.20
Rot. Bonds2

About N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23596316) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(5-cyano-4,6-dimethyl-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-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23596316
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)nc(C)c1C#N
InChIInChI=1S/C26H23N3O/c1-15-12-23(28-16(2)22(15)14-27)29-25(30)26(3)13-21-17-8-4-6-10-19(17)24(26)20-11-7-5-9-18(20)21/h4-12,21,24H,13H2,1-3H3,(H,28,29,30)
InChIKeyOACHLTMXCUZXHC-UHFFFAOYSA-N
XLogP5.20
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4,6-dimethyl-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-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23596316) is N-(5-cyano-4,6-dimethyl-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-(5-cyano-4,6-dimethyl-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-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1cc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)nc(C)c1C#N.
What is the InChIKey of N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is OACHLTMXCUZXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-15-12-23(28-16(2)22(15)14-27)29-25(30)26(3)13-21-17-8-4-6-10-19(17)24(26)20-11-7-5-9-18(20)21/h4-12,21,24H,13H2,1-3H3,(H,28,29,30).
What are the key properties of N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(5-cyano-4,6-dimethyl-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 393.49 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4,6-dimethyl-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 23596316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).