2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide

C21H23N5O3 — CID 16670896

IUPAC2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCc1cc2c(o1)c1cnn(CC(=O)NC(C)c3ccncc3)c(=O)c1n2C(C)C
InChIInChI=1S/C21H23N5O3/c1-12(2)26-17-9-13(3)29-20(17)16-10-23-25(21(28)19(16)26)11-18(27)24-14(4)15-5-7-22-8-6-15/h5-10,12,14H,11H2,1-4H3,(H,24,27)
InChIKeyUVFVDLUXJIADCO-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide

2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 16670896) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID16670896
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCc1cc2c(o1)c1cnn(CC(=O)NC(C)c3ccncc3)c(=O)c1n2C(C)C
InChIInChI=1S/C21H23N5O3/c1-12(2)26-17-9-13(3)29-20(17)16-10-23-25(21(28)19(16)26)11-18(27)24-14(4)15-5-7-22-8-6-15/h5-10,12,14H,11H2,1-4H3,(H,24,27)
InChIKeyUVFVDLUXJIADCO-UHFFFAOYSA-N
XLogP3.11
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide 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

2-(4-methyl-9-oxo-7-prop-2-enyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 95798058
2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 16671027
2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 56730012
2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 46959160
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
CID 43042752
2-[4-(9-bicyclo[3.3.1]nonanylamino)-5-chloro-6-oxopyridazin-1-yl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 59574441
N-cyclopentyl-2-(7-ethyl-4-methyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 16670609
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
N-(1H-benzimidazol-2-ylmethyl)-2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 95798015
2-(7-ethyl-4-methyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 16670659
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 16670896) is 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide is Cc1cc2c(o1)c1cnn(CC(=O)NC(C)c3ccncc3)c(=O)c1n2C(C)C.
What is the InChIKey of 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is UVFVDLUXJIADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12(2)26-17-9-13(3)29-20(17)16-10-23-25(21(28)19(16)26)11-18(27)24-14(4)15-5-7-22-8-6-15/h5-10,12,14H,11H2,1-4H3,(H,24,27).
What are the key properties of 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 393.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 16670896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).