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

C19H21N7O — CID 67526109

IUPACN,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
SMILESCNc1nc2[nH]c(-c3cccc(N4CCOCC4)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-20-19-16-17(25(2)11-21-16)12-10-14(23-18(12)24-19)13-4-3-5-15(22-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H2,20,23,24)
InChIKeyHLCSIFFBWXRIBH-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.39
Rot. Bonds3

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

N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine (PubChem CID 67526109) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine.

Molecular Properties

Compound NameN,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
PubChem CID67526109
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
SMILESCNc1nc2[nH]c(-c3cccc(N4CCOCC4)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-20-19-16-17(25(2)11-21-16)12-10-14(23-18(12)24-19)13-4-3-5-15(22-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H2,20,23,24)
InChIKeyHLCSIFFBWXRIBH-UHFFFAOYSA-N
XLogP2.39
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-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 N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The IUPAC name of N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine (CID 67526109) is N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-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 N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The canonical SMILES for N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine is CNc1nc2[nH]c(-c3cccc(N4CCOCC4)n3)cc2c2c1ncn2C.
What is the InChIKey of N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The InChIKey is HLCSIFFBWXRIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-20-19-16-17(25(2)11-21-16)12-10-14(23-18(12)24-19)13-4-3-5-15(22-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H2,20,23,24).
What are the key properties of N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine has a molecular weight of 363.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-11-(6-morpholin-4-yl-2-pyridinyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine is sourced from PubChem (CID 67526109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).