propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C16H20F3N3O3 — CID 58926742

IUPACpropan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC(=O)NC1CC(C)N(C(=O)OC(C)C)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H20F3N3O3/c1-8(2)25-15(24)22-9(3)7-11(20-10(4)23)14-12(22)5-6-13(21-14)16(17,18)19/h5-6,8-9,11H,7H2,1-4H3,(H,20,23)
InChIKeyCFBXNPNDCAZJKZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.42
Rot. Bonds2

About propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 58926742) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID58926742
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Namepropan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC(=O)NC1CC(C)N(C(=O)OC(C)C)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H20F3N3O3/c1-8(2)25-15(24)22-9(3)7-11(20-10(4)23)14-12(22)5-6-13(21-14)16(17,18)19/h5-6,8-9,11H,7H2,1-4H3,(H,20,23)
InChIKeyCFBXNPNDCAZJKZ-UHFFFAOYSA-N
XLogP3.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 58926742) is propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CC(=O)NC1CC(C)N(C(=O)OC(C)C)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is CFBXNPNDCAZJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-8(2)25-15(24)22-9(3)7-11(20-10(4)23)14-12(22)5-6-13(21-14)16(17,18)19/h5-6,8-9,11H,7H2,1-4H3,(H,20,23).
What are the key properties of propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 359.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-acetamido-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 58926742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).