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

C15H11F6N5O — CID 122194830

IUPACN-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
SMILESNCCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H11F6N5O/c16-14(17,18)8-5-10(15(19,20)21)25-12-7(8)1-2-11-24-9(6-26(11)12)13(27)23-4-3-22/h1-2,5-6H,3-4,22H2,(H,23,27)
InChIKeyGJIYFZYSQJGEHK-UHFFFAOYSA-N
MW391.28 g/mol
LogP2.61
Rot. Bonds3

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

N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide (PubChem CID 122194830) has the molecular formula C15H11F6N5O and a molecular weight of 391.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
PubChem CID122194830
Molecular FormulaC15H11F6N5O
Molecular Weight391.28 g/mol
Exact Mass391.09
IUPAC NameN-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
SMILESNCCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H11F6N5O/c16-14(17,18)8-5-10(15(19,20)21)25-12-7(8)1-2-11-24-9(6-26(11)12)13(27)23-4-3-22/h1-2,5-6H,3-4,22H2,(H,23,27)
InChIKeyGJIYFZYSQJGEHK-UHFFFAOYSA-N
XLogP2.61
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide (CID 122194830) is N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide is NCCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1.
What is the InChIKey of N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
The InChIKey is GJIYFZYSQJGEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O/c16-14(17,18)8-5-10(15(19,20)21)25-12-7(8)1-2-11-24-9(6-26(11)12)13(27)23-4-3-22/h1-2,5-6H,3-4,22H2,(H,23,27).
What are the key properties of N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide?
N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide has a molecular weight of 391.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 122194830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).