6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide

C24H22N4O2 — CID 142532157

IUPAC6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide
SMILESCc1cc2c3c(c1)C(c1ccccc1)=NCC(=O)N3CC2.NC(=O)c1cccnc1
InChIInChI=1S/C18H16N2O.C6H6N2O/c1-12-9-14-7-8-20-16(21)11-19-17(15(10-12)18(14)20)13-5-3-2-4-6-13;7-6(9)5-2-1-3-8-4-5/h2-6,9-10H,7-8,11H2,1H3;1-4H,(H2,7,9)
InChIKeyFMRDHLCPTNOHSI-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.92
Rot. Bonds2

About 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide

6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide (PubChem CID 142532157) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide
PubChem CID142532157
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide
SMILESCc1cc2c3c(c1)C(c1ccccc1)=NCC(=O)N3CC2.NC(=O)c1cccnc1
InChIInChI=1S/C18H16N2O.C6H6N2O/c1-12-9-14-7-8-20-16(21)11-19-17(15(10-12)18(14)20)13-5-3-2-4-6-13;7-6(9)5-2-1-3-8-4-5/h2-6,9-10H,7-8,11H2,1H3;1-4H,(H2,7,9)
InChIKeyFMRDHLCPTNOHSI-UHFFFAOYSA-N
XLogP2.92
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,5-dichloro-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 10648358
benzene;pyridine-3-carboxamide
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5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide
CID 160739677
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1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide?
The IUPAC name of 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide (CID 142532157) is 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide is Cc1cc2c3c(c1)C(c1ccccc1)=NCC(=O)N3CC2.NC(=O)c1cccnc1.
What is the InChIKey of 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide?
The InChIKey is FMRDHLCPTNOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.C6H6N2O/c1-12-9-14-7-8-20-16(21)11-19-17(15(10-12)18(14)20)13-5-3-2-4-6-13;7-6(9)5-2-1-3-8-4-5/h2-6,9-10H,7-8,11H2,1H3;1-4H,(H2,7,9).
What are the key properties of 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide?
6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one;pyridine-3-carboxamide is sourced from PubChem (CID 142532157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).