N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C18H18N4O2 — CID 53210244

IUPACN-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)c1
InChIInChI=1S/C18H18N4O2/c1-10-4-5-11(2)13(8-10)21-17(23)14-12(3)24-18-15(14)16-19-6-7-22(16)9-20-18/h4-5,8-9H,6-7H2,1-3H3,(H,21,23)
InChIKeyJFVISSDCVMUQHB-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.19
Rot. Bonds2

About N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 53210244) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
PubChem CID53210244
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)c1
InChIInChI=1S/C18H18N4O2/c1-10-4-5-11(2)13(8-10)21-17(23)14-12(3)24-18-15(14)16-19-6-7-22(16)9-20-18/h4-5,8-9H,6-7H2,1-3H3,(H,21,23)
InChIKeyJFVISSDCVMUQHB-UHFFFAOYSA-N
XLogP3.19
TPSA70.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide with MolForge

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Related Compounds

N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 71034442
11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210211
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
4-(azepan-1-yl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847291
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 53210244) is N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is Cc1ccc(C)c(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The InChIKey is JFVISSDCVMUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-4-5-11(2)13(8-10)21-17(23)14-12(3)24-18-15(14)16-19-6-7-22(16)9-20-18/h4-5,8-9H,6-7H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 53210244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).