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

C20H21N5O3 — CID 16671027

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-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc2c(o1)c1cnn(CC(=O)NCc3cccnc3)c(=O)c1n2C(C)C
InChIInChI=1S/C20H21N5O3/c1-12(2)25-16-7-13(3)28-19(16)15-10-23-24(20(27)18(15)25)11-17(26)22-9-14-5-4-6-21-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,22,26)
InChIKeyLLIIYCQGEXNWPA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.54
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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)acetamide (PubChem CID 16671027) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)acetamide
PubChem CID16671027
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
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-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc2c(o1)c1cnn(CC(=O)NCc3cccnc3)c(=O)c1n2C(C)C
InChIInChI=1S/C20H21N5O3/c1-12(2)25-16-7-13(3)28-19(16)15-10-23-24(20(27)18(15)25)11-17(26)22-9-14-5-4-6-21-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,22,26)
InChIKeyLLIIYCQGEXNWPA-UHFFFAOYSA-N
XLogP2.54
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.54
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-(pyridin-3-ylmethyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

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
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-(4,7-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
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
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
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441976
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20974403
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 5068847
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212

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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)acetamide (CID 16671027) 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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)acetamide is Cc1cc2c(o1)c1cnn(CC(=O)NCc3cccnc3)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-(pyridin-3-ylmethyl)acetamide?
The InChIKey is LLIIYCQGEXNWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12(2)25-16-7-13(3)28-19(16)15-10-23-24(20(27)18(15)25)11-17(26)22-9-14-5-4-6-21-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,22,26).
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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.54, 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 16671027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).