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

C20H23N7O2 — CID 57393216

IUPAC2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(=O)COC)n3)cc2c2c1ncn2C
InChIInChI=1S/C20H23N7O2/c1-21-20-17-18(27(3)11-22-17)13-8-15(24-19(13)25-20)14-7-5-6-12(23-14)9-26(2)16(28)10-29-4/h5-8,11H,9-10H2,1-4H3,(H2,21,24,25)
InChIKeyIDLZPACLHTWGRU-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.16
Rot. Bonds6

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

2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 57393216) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide
PubChem CID57393216
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(=O)COC)n3)cc2c2c1ncn2C
InChIInChI=1S/C20H23N7O2/c1-21-20-17-18(27(3)11-22-17)13-8-15(24-19(13)25-20)14-7-5-6-12(23-14)9-26(2)16(28)10-29-4/h5-8,11H,9-10H2,1-4H3,(H2,21,24,25)
InChIKeyIDLZPACLHTWGRU-UHFFFAOYSA-N
XLogP2.16
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide (CID 57393216) is 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide is CNc1nc2[nH]c(-c3cccc(CN(C)C(=O)COC)n3)cc2c2c1ncn2C.
What is the InChIKey of 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is IDLZPACLHTWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-21-20-17-18(27(3)11-22-17)13-8-15(24-19(13)25-20)14-7-5-6-12(23-14)9-26(2)16(28)10-29-4/h5-8,11H,9-10H2,1-4H3,(H2,21,24,25).
What are the key properties of 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide?
2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 57393216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).