N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen

C23H26N4O — CID 176940173

IUPACN-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
SMILESCc1cnc(NC(=O)N2CC3CCC2C2=C3CCC=C2)cc1-c1ccccn1.[H][H]
InChIInChI=1S/C23H24N4O.H2/c1-15-13-25-22(12-19(15)20-8-4-5-11-24-20)26-23(28)27-14-16-9-10-21(27)18-7-3-2-6-17(16)18;/h3-5,7-8,11-13,16,21H,2,6,9-10,14H2,1H3,(H,25,26,28);1H
InChIKeyFUUZHTHCOBSTTR-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.97
Rot. Bonds2

About N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen

N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen (PubChem CID 176940173) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
PubChem CID176940173
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
SMILESCc1cnc(NC(=O)N2CC3CCC2C2=C3CCC=C2)cc1-c1ccccn1.[H][H]
InChIInChI=1S/C23H24N4O.H2/c1-15-13-25-22(12-19(15)20-8-4-5-11-24-20)26-23(28)27-14-16-9-10-21(27)18-7-3-2-6-17(16)18;/h3-5,7-8,11-13,16,21H,2,6,9-10,14H2,1H3,(H,25,26,28);1H
InChIKeyFUUZHTHCOBSTTR-UHFFFAOYSA-N
XLogP4.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?
The IUPAC name of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen (CID 176940173) is N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?
The canonical SMILES for N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen is Cc1cnc(NC(=O)N2CC3CCC2C2=C3CCC=C2)cc1-c1ccccn1.[H][H].
What is the InChIKey of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?
The InChIKey is FUUZHTHCOBSTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.H2/c1-15-13-25-22(12-19(15)20-8-4-5-11-24-20)26-23(28)27-14-16-9-10-21(27)18-7-3-2-6-17(16)18;/h3-5,7-8,11-13,16,21H,2,6,9-10,14H2,1H3,(H,25,26,28);1H.
What are the key properties of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen?
N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen has a molecular weight of 374.49 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen is sourced from PubChem (CID 176940173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).