3-methoxy-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]propanamide

C20H23N7O2 — CID 57393214

IUPAC3-methoxy-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]propanamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)n3)cc2c2c1ncn2C
InChIInChI=1S/C20H23N7O2/c1-21-20-17-18(27(2)11-23-17)13-9-15(25-19(13)26-20)14-6-4-5-12(24-14)10-22-16(28)7-8-29-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,22,28)(H2,21,25,26)
InChIKeyGDQLIPSXRCBZSX-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.21
Rot. Bonds7

About 3-methoxy-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]propanamide

3-methoxy-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]propanamide (PubChem CID 57393214) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-methoxy-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]propanamide.

Molecular Properties

Compound Name3-methoxy-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]propanamide
PubChem CID57393214
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-methoxy-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]propanamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)n3)cc2c2c1ncn2C
InChIInChI=1S/C20H23N7O2/c1-21-20-17-18(27(2)11-23-17)13-9-15(25-19(13)26-20)14-6-4-5-12(24-14)10-22-16(28)7-8-29-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,22,28)(H2,21,25,26)
InChIKeyGDQLIPSXRCBZSX-UHFFFAOYSA-N
XLogP2.21
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-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]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-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]propanamide?
The IUPAC name of 3-methoxy-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]propanamide (CID 57393214) is 3-methoxy-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]propanamide.
What is the SMILES notation for 3-methoxy-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]propanamide?
The canonical SMILES for 3-methoxy-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]propanamide is CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)n3)cc2c2c1ncn2C.
What is the InChIKey of 3-methoxy-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]propanamide?
The InChIKey is GDQLIPSXRCBZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-21-20-17-18(27(2)11-23-17)13-9-15(25-19(13)26-20)14-6-4-5-12(24-14)10-22-16(28)7-8-29-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,22,28)(H2,21,25,26).
What are the key properties of 3-methoxy-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]propanamide?
3-methoxy-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]propanamide has a molecular weight of 393.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-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]propanamide is sourced from PubChem (CID 57393214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).