16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one

C19H19N5O — CID 71112077

IUPAC16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
SMILESCC12CCCN1Cc1nc3nc(-c4ccccn4)ccc3c(=O)n1C2
InChIInChI=1S/C19H19N5O/c1-19-8-4-10-23(19)11-16-22-17-13(18(25)24(16)12-19)6-7-15(21-17)14-5-2-3-9-20-14/h2-3,5-7,9H,4,8,10-12H2,1H3
InChIKeyHBUYQLURZCLDFR-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.22
Rot. Bonds1

About 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one

16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one (PubChem CID 71112077) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one.

Molecular Properties

Compound Name16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
PubChem CID71112077
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
SMILESCC12CCCN1Cc1nc3nc(-c4ccccn4)ccc3c(=O)n1C2
InChIInChI=1S/C19H19N5O/c1-19-8-4-10-23(19)11-16-22-17-13(18(25)24(16)12-19)6-7-15(21-17)14-5-2-3-9-20-14/h2-3,5-7,9H,4,8,10-12H2,1H3
InChIKeyHBUYQLURZCLDFR-UHFFFAOYSA-N
XLogP2.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one with MolForge

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Related Compounds

16-methyl-6-pyridin-2-yl-1,4,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
CID 71112072
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one;(2-amino-4-bromophenyl) formate;6-bromo-16-methyl-1,9,12-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one;2-ethynylpyridine;16-methyl-6-(2-pyridin-2-ylethynyl)-1,9,12-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
CID 160975152
8,8-dimethyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112145
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112100
8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112621
6-pyridin-2-yl-1,9,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,9-tetraen-2-one
CID 71112031
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71488829
8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112086
3-(1-fluoro-3-pyridin-2-ylprop-2-ynyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112870
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845

Frequently Asked Questions

What is the IUPAC name of 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one?
The IUPAC name of 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one (CID 71112077) is 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one.
What is the SMILES notation for 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one?
The canonical SMILES for 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one is CC12CCCN1Cc1nc3nc(-c4ccccn4)ccc3c(=O)n1C2.
What is the InChIKey of 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one?
The InChIKey is HBUYQLURZCLDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-19-8-4-10-23(19)11-16-22-17-13(18(25)24(16)12-19)6-7-15(21-17)14-5-2-3-9-20-14/h2-3,5-7,9H,4,8,10-12H2,1H3.
What are the key properties of 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one?
16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one has a molecular weight of 333.40 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-6-pyridin-2-yl-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one is sourced from PubChem (CID 71112077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).