N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide

C17H15F6N5O — CID 122194831

IUPACN-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
SMILESCNCCN(C)C(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1
InChIInChI=1S/C17H15F6N5O/c1-24-5-6-27(2)15(29)11-8-28-13(25-11)4-3-9-10(16(18,19)20)7-12(17(21,22)23)26-14(9)28/h3-4,7-8,24H,5-6H2,1-2H3
InChIKeyHUVIKPUKBYPGNK-UHFFFAOYSA-N
MW419.33 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide

N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide (PubChem CID 122194831) has the molecular formula C17H15F6N5O and a molecular weight of 419.33 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
PubChem CID122194831
Molecular FormulaC17H15F6N5O
Molecular Weight419.33 g/mol
Exact Mass419.12
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
SMILESCNCCN(C)C(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1
InChIInChI=1S/C17H15F6N5O/c1-24-5-6-27(2)15(29)11-8-28-13(25-11)4-3-9-10(16(18,19)20)7-12(17(21,22)23)26-14(9)28/h3-4,7-8,24H,5-6H2,1-2H3
InChIKeyHUVIKPUKBYPGNK-UHFFFAOYSA-N
XLogP3.21
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-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-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide (CID 122194831) is N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide is CNCCN(C)C(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
The InChIKey is HUVIKPUKBYPGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N5O/c1-24-5-6-27(2)15(29)11-8-28-13(25-11)4-3-9-10(16(18,19)20)7-12(17(21,22)23)26-14(9)28/h3-4,7-8,24H,5-6H2,1-2H3.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 122194831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).