2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide

C19H20N6O2 — CID 45267192

IUPAC2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)CO)c3)cc2c2c1ncn2C
InChIInChI=1S/C19H20N6O2/c1-20-19-16-17(25(2)10-22-16)13-7-14(23-18(13)24-19)12-5-3-4-11(6-12)8-21-15(27)9-26/h3-7,10,26H,8-9H2,1-2H3,(H,21,27)(H2,20,23,24)
InChIKeyHTZGCLACEOMUOV-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.77
Rot. Bonds5

About 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide

2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide (PubChem CID 45267192) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide
PubChem CID45267192
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)CO)c3)cc2c2c1ncn2C
InChIInChI=1S/C19H20N6O2/c1-20-19-16-17(25(2)10-22-16)13-7-14(23-18(13)24-19)12-5-3-4-11(6-12)8-21-15(27)9-26/h3-7,10,26H,8-9H2,1-2H3,(H,21,27)(H2,20,23,24)
InChIKeyHTZGCLACEOMUOV-UHFFFAOYSA-N
XLogP1.77
TPSA107.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide (CID 45267192) is 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide is CNc1nc2[nH]c(-c3cccc(CNC(=O)CO)c3)cc2c2c1ncn2C.
What is the InChIKey of 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide?
The InChIKey is HTZGCLACEOMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-20-19-16-17(25(2)10-22-16)13-7-14(23-18(13)24-19)12-5-3-4-11(6-12)8-21-15(27)9-26/h3-7,10,26H,8-9H2,1-2H3,(H,21,27)(H2,20,23,24).
What are the key properties of 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide?
2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 45267192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).