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

C19H23N7O — CID 57394936

IUPAC11-[6-[2-methoxyethyl(methyl)amino]-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(N(C)CCOC)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H23N7O/c1-20-19-16-17(26(3)11-21-16)12-10-14(23-18(12)24-19)13-6-5-7-15(22-13)25(2)8-9-27-4/h5-7,10-11H,8-9H2,1-4H3,(H2,20,23,24)
InChIKeyWDNLDEPHLHIBLH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.64
Rot. Bonds6

About 11-[6-[2-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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 57394936) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 11-[6-[2-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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 CID57394936
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name11-[6-[2-methoxyethyl(methyl)amino]-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(N(C)CCOC)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H23N7O/c1-20-19-16-17(26(3)11-21-16)12-10-14(23-18(12)24-19)13-6-5-7-15(22-13)25(2)8-9-27-4/h5-7,10-11H,8-9H2,1-4H3,(H2,20,23,24)
InChIKeyWDNLDEPHLHIBLH-UHFFFAOYSA-N
XLogP2.64
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 11-[6-[2-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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 57394936) is 11-[6-[2-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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(N(C)CCOC)n3)cc2c2c1ncn2C.
What is the InChIKey of 11-[6-[2-methoxyethyl(methyl)amino]-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 WDNLDEPHLHIBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-20-19-16-17(26(3)11-21-16)12-10-14(23-18(12)24-19)13-6-5-7-15(22-13)25(2)8-9-27-4/h5-7,10-11H,8-9H2,1-4H3,(H2,20,23,24).
What are the key properties of 11-[6-[2-methoxyethyl(methyl)amino]-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-methoxyethyl(methyl)amino]-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 365.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-[2-methoxyethyl(methyl)amino]-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 57394936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).