N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide

C24H21F3N8O — CID 67526202

IUPACN-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(=O)c4ccc(C(F)(F)F)nc4)n3)cc2c2c1ncn2C
InChIInChI=1S/C24H21F3N8O/c1-28-22-19-20(35(3)12-30-19)15-9-17(32-21(15)33-22)16-6-4-5-14(31-16)11-34(2)23(36)13-7-8-18(29-10-13)24(25,26)27/h4-10,12H,11H2,1-3H3,(H2,28,32,33)
InChIKeyLCEONQIUEDCFDT-UHFFFAOYSA-N
MW494.48 g/mol
LogP4.24
Rot. Bonds5

About N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide

N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 67526202) has the molecular formula C24H21F3N8O and a molecular weight of 494.48 g/mol. Its IUPAC name is N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID67526202
Molecular FormulaC24H21F3N8O
Molecular Weight494.48 g/mol
Exact Mass494.18
IUPAC NameN-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(=O)c4ccc(C(F)(F)F)nc4)n3)cc2c2c1ncn2C
InChIInChI=1S/C24H21F3N8O/c1-28-22-19-20(35(3)12-30-19)15-9-17(32-21(15)33-22)16-6-4-5-14(31-16)11-34(2)23(36)13-7-8-18(29-10-13)24(25,26)27/h4-10,12H,11H2,1-3H3,(H2,28,32,33)
InChIKeyLCEONQIUEDCFDT-UHFFFAOYSA-N
XLogP4.24
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 67526202) is N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide is CNc1nc2[nH]c(-c3cccc(CN(C)C(=O)c4ccc(C(F)(F)F)nc4)n3)cc2c2c1ncn2C.
What is the InChIKey of N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LCEONQIUEDCFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O/c1-28-22-19-20(35(3)12-30-19)15-9-17(32-21(15)33-22)16-6-4-5-14(31-16)11-34(2)23(36)13-7-8-18(29-10-13)24(25,26)27/h4-10,12H,11H2,1-3H3,(H2,28,32,33).
What are the key properties of N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 494.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67526202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).