11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine

C18H21N7O — CID 57391448

IUPAC11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
SMILESCNc1nc2[nH]c(-c3cccc(NCCOC)n3)cc2c2c1ncn2C
InChIInChI=1S/C18H21N7O/c1-19-18-15-16(25(2)10-21-15)11-9-13(23-17(11)24-18)12-5-4-6-14(22-12)20-7-8-26-3/h4-6,9-10H,7-8H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXCDWXTLIYQVDDO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.61
Rot. Bonds6

About 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine

11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine (PubChem CID 57391448) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine.

Molecular Properties

Compound Name11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
PubChem CID57391448
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
SMILESCNc1nc2[nH]c(-c3cccc(NCCOC)n3)cc2c2c1ncn2C
InChIInChI=1S/C18H21N7O/c1-19-18-15-16(25(2)10-21-15)11-9-13(23-17(11)24-18)12-5-4-6-14(22-12)20-7-8-26-3/h4-6,9-10H,7-8H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXCDWXTLIYQVDDO-UHFFFAOYSA-N
XLogP2.61
TPSA92.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The IUPAC name of 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine (CID 57391448) is 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine.
What is the SMILES notation for 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The canonical SMILES for 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine is CNc1nc2[nH]c(-c3cccc(NCCOC)n3)cc2c2c1ncn2C.
What is the InChIKey of 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The InChIKey is XCDWXTLIYQVDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-19-18-15-16(25(2)10-21-15)11-9-13(23-17(11)24-18)12-5-4-6-14(22-12)20-7-8-26-3/h4-6,9-10H,7-8H2,1-3H3,(H,20,22)(H2,19,23,24).
What are the key properties of 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine has a molecular weight of 351.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine is sourced from PubChem (CID 57391448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).