2-(methylamino)-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

C19H22N8O — CID 57400123

IUPAC2-(methylamino)-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
SMILESCNCC(=O)NCc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)n1
InChIInChI=1S/C19H22N8O/c1-20-9-15(28)22-8-11-5-4-6-13(24-11)14-7-12-17-16(23-10-27(17)3)19(21-2)26-18(12)25-14/h4-7,10,20H,8-9H2,1-3H3,(H,22,28)(H2,21,25,26)
InChIKeySHCYCYSXWVGWBG-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.39
Rot. Bonds6

About 2-(methylamino)-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-(methylamino)-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 57400123) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(methylamino)-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-(methylamino)-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 CID57400123
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-(methylamino)-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
SMILESCNCC(=O)NCc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)n1
InChIInChI=1S/C19H22N8O/c1-20-9-15(28)22-8-11-5-4-6-13(24-11)14-7-12-17-16(23-10-27(17)3)19(21-2)26-18(12)25-14/h4-7,10,20H,8-9H2,1-3H3,(H,22,28)(H2,21,25,26)
InChIKeySHCYCYSXWVGWBG-UHFFFAOYSA-N
XLogP1.39
TPSA112.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(methylamino)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-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-(methylamino)-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 57400123) is 2-(methylamino)-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-(methylamino)-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-(methylamino)-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 CNCC(=O)NCc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)n1.
What is the InChIKey of 2-(methylamino)-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 SHCYCYSXWVGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-20-9-15(28)22-8-11-5-4-6-13(24-11)14-7-12-17-16(23-10-27(17)3)19(21-2)26-18(12)25-14/h4-7,10,20H,8-9H2,1-3H3,(H,22,28)(H2,21,25,26).
What are the key properties of 2-(methylamino)-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-(methylamino)-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 378.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-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 57400123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).