13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one

C18H22N4O2 — CID 156610464

IUPAC13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
SMILESCOc1cccc(CN2C3CCC2Cc2c(nc(C)[nH]c2=O)C3)n1
InChIInChI=1S/C18H22N4O2/c1-11-19-16-9-14-7-6-13(8-15(16)18(23)20-11)22(14)10-12-4-3-5-17(21-12)24-2/h3-5,13-14H,6-10H2,1-2H3,(H,19,20,23)
InChIKeyNCQHSTFNKXJGNA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds3

About 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one

13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one (PubChem CID 156610464) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one.

Molecular Properties

Compound Name13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
PubChem CID156610464
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
SMILESCOc1cccc(CN2C3CCC2Cc2c(nc(C)[nH]c2=O)C3)n1
InChIInChI=1S/C18H22N4O2/c1-11-19-16-9-14-7-6-13(8-15(16)18(23)20-11)22(14)10-12-4-3-5-17(21-12)24-2/h3-5,13-14H,6-10H2,1-2H3,(H,19,20,23)
InChIKeyNCQHSTFNKXJGNA-UHFFFAOYSA-N
XLogP1.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one with MolForge

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Related Compounds

1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421704
7-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-3-yl]-1-[(2-ethyl-6-methoxy-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421218
4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421303
7-[(2E)-4,7-difluoroocta-2,4,5,7-tetraen-2-yl]-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421702
3-[[6-(difluoromethoxy)-2-pyridinyl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-one;2,2,2-trifluoroacetic acid
CID 167815007
3-[[6-(difluoromethoxy)-2-pyridinyl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-one
CID 167815008
3-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-one
CID 167923574
6-methoxy-N-[3-(2-methoxy-3-methyl-4H-pyrimidin-3-ium-3-yl)-4-phenylbutyl]pyridine-2-carboxamide
CID 67247266
2-(6-Methoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741181
6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide
CID 90206422
7-cyclohepta-1,3,5-trien-1-yl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421703
5-[[(2-Methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one
CID 171489722

Frequently Asked Questions

What is the IUPAC name of 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
The IUPAC name of 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one (CID 156610464) is 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one.
What is the SMILES notation for 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
The canonical SMILES for 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one is COc1cccc(CN2C3CCC2Cc2c(nc(C)[nH]c2=O)C3)n1.
What is the InChIKey of 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
The InChIKey is NCQHSTFNKXJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-19-16-9-14-7-6-13(8-15(16)18(23)20-11)22(14)10-12-4-3-5-17(21-12)24-2/h3-5,13-14H,6-10H2,1-2H3,(H,19,20,23).
What are the key properties of 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one has a molecular weight of 326.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(6-methoxy-2-pyridinyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one is sourced from PubChem (CID 156610464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).