6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

C16H14N4O2 — CID 45493184

IUPAC6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1noc2nc3c(c(C(=O)Nc4ccncc4)c12)CCC3
InChIInChI=1S/C16H14N4O2/c1-9-13-14(15(21)18-10-5-7-17-8-6-10)11-3-2-4-12(11)19-16(13)22-20-9/h5-8H,2-4H2,1H3,(H,17,18,21)
InChIKeyWWWAEFIEDHJGKA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.67
Rot. Bonds2

About 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (PubChem CID 45493184) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.

Molecular Properties

Compound Name6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
PubChem CID45493184
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1noc2nc3c(c(C(=O)Nc4ccncc4)c12)CCC3
InChIInChI=1S/C16H14N4O2/c1-9-13-14(15(21)18-10-5-7-17-8-6-10)11-3-2-4-12(11)19-16(13)22-20-9/h5-8H,2-4H2,1H3,(H,17,18,21)
InChIKeyWWWAEFIEDHJGKA-UHFFFAOYSA-N
XLogP2.67
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 131896944
N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 86207454
6-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 134705765
6-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 95711974
4,6-dimethyl-N-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 91823076
2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131948314
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
CID 70762974
[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
CID 135087749
(1R,2R,4S)-2-ethyl-7-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146042436
N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 135097073
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33040958

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The IUPAC name of 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (CID 45493184) is 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.
What is the SMILES notation for 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The canonical SMILES for 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is Cc1noc2nc3c(c(C(=O)Nc4ccncc4)c12)CCC3.
What is the InChIKey of 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The InChIKey is WWWAEFIEDHJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-9-13-14(15(21)18-10-5-7-17-8-6-10)11-3-2-4-12(11)19-16(13)22-20-9/h5-8H,2-4H2,1H3,(H,17,18,21).
What are the key properties of 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 45493184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).