N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H21F3N4O3 — CID 166334049

IUPACN-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(N)C(NC(=O)c1cnc2cnccc2c1)c1ccc2ccccc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H20N4O.C2HF3O2/c1-14(23)21(18-7-6-15-4-2-3-5-16(15)10-18)26-22(27)19-11-17-8-9-24-13-20(17)25-12-19;3-2(4,5)1(6)7/h2-14,21H,23H2,1H3,(H,26,27);(H,6,7)
InChIKeyWEGWCKRTJGYTEM-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.23
Rot. Bonds4

About N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166334049) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166334049
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(N)C(NC(=O)c1cnc2cnccc2c1)c1ccc2ccccc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H20N4O.C2HF3O2/c1-14(23)21(18-7-6-15-4-2-3-5-16(15)10-18)26-22(27)19-11-17-8-9-24-13-20(17)25-12-19;3-2(4,5)1(6)7/h2-14,21H,23H2,1H3,(H,26,27);(H,6,7)
InChIKeyWEGWCKRTJGYTEM-UHFFFAOYSA-N
XLogP4.23
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166334049) is N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CC(N)C(NC(=O)c1cnc2cnccc2c1)c1ccc2ccccc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WEGWCKRTJGYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O.C2HF3O2/c1-14(23)21(18-7-6-15-4-2-3-5-16(15)10-18)26-22(27)19-11-17-8-9-24-13-20(17)25-12-19;3-2(4,5)1(6)7/h2-14,21H,23H2,1H3,(H,26,27);(H,6,7).
What are the key properties of N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 470.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166334049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).