5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide

C18H22N6O2 — CID 121352223

IUPAC5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
SMILESCN(C)C(=O)C1C=CC2=C(N1)N(C(=O)Nc1ccccn1)C1CCN2C1
InChIInChI=1S/C18H22N6O2/c1-22(2)17(25)13-6-7-14-16(20-13)24(12-8-10-23(14)11-12)18(26)21-15-5-3-4-9-19-15/h3-7,9,12-13,20H,8,10-11H2,1-2H3,(H,19,21,26)
InChIKeyVUBIWPZFRGFZHK-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.79
Rot. Bonds2

About 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide

5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide (PubChem CID 121352223) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide.

Molecular Properties

Compound Name5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
PubChem CID121352223
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
SMILESCN(C)C(=O)C1C=CC2=C(N1)N(C(=O)Nc1ccccn1)C1CCN2C1
InChIInChI=1S/C18H22N6O2/c1-22(2)17(25)13-6-7-14-16(20-13)24(12-8-10-23(14)11-12)18(26)21-15-5-3-4-9-19-15/h3-7,9,12-13,20H,8,10-11H2,1-2H3,(H,19,21,26)
InChIKeyVUBIWPZFRGFZHK-UHFFFAOYSA-N
XLogP0.79
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-N-(4-cyano-2-pyridinyl)-5-N-ethyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 155001580
(9S)-5-N-cyclopropyl-8-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352516
(9S)-8-N-(4-bromo-2-pyridinyl)-5-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352469
(9S)-8-N-[4-(methylcarbamoyl)-2-pyridinyl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352702
8-N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352331
(9S)-8-N-(1H-pyrazol-5-yl)-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352201
(9S)-5-N-methyl-8-N-pyridin-2-yl-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358144
8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358083
8-N-[4-[(2R)-2,3-dihydroxypropoxy]-2-pyridinyl]-5-N-prop-2-enyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352321
(9S)-5-N-(cyclopropylmethyl)-8-N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352735
2-[formyl-[(9S)-8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]amino]acetic acid
CID 154995417
5-N-cyclopropyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 140675854

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide?
The IUPAC name of 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide (CID 121352223) is 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide.
What is the SMILES notation for 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide?
The canonical SMILES for 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide is CN(C)C(=O)C1C=CC2=C(N1)N(C(=O)Nc1ccccn1)C1CCN2C1.
What is the InChIKey of 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide?
The InChIKey is VUBIWPZFRGFZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22(2)17(25)13-6-7-14-16(20-13)24(12-8-10-23(14)11-12)18(26)21-15-5-3-4-9-19-15/h3-7,9,12-13,20H,8,10-11H2,1-2H3,(H,19,21,26).
What are the key properties of 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide?
5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide is sourced from PubChem (CID 121352223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).