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

C19H19N5O — CID 71112072

IUPAC16-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
SMILESCC12CCCN1Cc1nc3cc(-c4ccccn4)cnc3c(=O)n1C2
InChIInChI=1S/C19H19N5O/c1-19-6-4-8-23(19)11-16-22-15-9-13(14-5-2-3-7-20-14)10-21-17(15)18(25)24(16)12-19/h2-3,5,7,9-10H,4,6,8,11-12H2,1H3
InChIKeyGMEYDOWQZXNNPQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.22
Rot. Bonds1

About 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

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 (PubChem CID 71112072) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 16-methyl-6-pyridin-2-yl-1,4,9,12-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-1,4,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
PubChem CID71112072
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name16-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
SMILESCC12CCCN1Cc1nc3cc(-c4ccccn4)cnc3c(=O)n1C2
InChIInChI=1S/C19H19N5O/c1-19-6-4-8-23(19)11-16-22-15-9-13(14-5-2-3-7-20-14)10-21-17(15)18(25)24(16)12-19/h2-3,5,7,9-10H,4,6,8,11-12H2,1H3
InChIKeyGMEYDOWQZXNNPQ-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-1,4,9,12-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-1,7,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
CID 71112077
13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112349
12-methyl-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112238
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
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
13-methyl-6-(2-pyridin-2-ylethynyl)-13-(trifluoromethyl)-1,4,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one
CID 134243580
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
14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
CID 71112073
6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574559
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
8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112086
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71488829

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CCCN1Cc1nc3cc(-c4ccccn4)cnc3c(=O)n1C2.
What is the InChIKey of 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?
The InChIKey is GMEYDOWQZXNNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-19-6-4-8-23(19)11-16-22-15-9-13(14-5-2-3-7-20-14)10-21-17(15)18(25)24(16)12-19/h2-3,5,7,9-10H,4,6,8,11-12H2,1H3.
What are the key properties of 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?
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 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-1,4,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one is sourced from PubChem (CID 71112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).