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

C16H20F3N3O2 — CID 58926715

IUPACpropan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC(C)OC(=O)N1c2ccc(C(F)(F)F)nc2C(N)CC1C1CC1
InChIInChI=1S/C16H20F3N3O2/c1-8(2)24-15(23)22-11-5-6-13(16(17,18)19)21-14(11)10(20)7-12(22)9-3-4-9/h5-6,8-10,12H,3-4,7,20H2,1-2H3
InChIKeyGTHCBNYVIHKDCY-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.63
Rot. Bonds2

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

propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 58926715) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID58926715
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Namepropan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC(C)OC(=O)N1c2ccc(C(F)(F)F)nc2C(N)CC1C1CC1
InChIInChI=1S/C16H20F3N3O2/c1-8(2)24-15(23)22-11-5-6-13(16(17,18)19)21-14(11)10(20)7-12(22)9-3-4-9/h5-6,8-10,12H,3-4,7,20H2,1-2H3
InChIKeyGTHCBNYVIHKDCY-UHFFFAOYSA-N
XLogP3.63
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70689560
propan-2-yl (2S,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70689561
propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70695883
propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70683266
propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-cyanoamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70683267
Tert-butyl 2-(aminomethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CID 124299649
4-[(3,5-Bis-trifluoromethyl-benzyl)-methoxycarbonyl-amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-[1,7]naphthyridine-1-carboxylic acid ethyl ester
CID 11526955
propan-2-yl 4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 11570606
propan-2-yl 4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 11642869
ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate
CID 11657293
propan-2-yl 4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 11663919
propan-2-yl 4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 11678871

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 58926715) is propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CC(C)OC(=O)N1c2ccc(C(F)(F)F)nc2C(N)CC1C1CC1.
What is the InChIKey of propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is GTHCBNYVIHKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-8(2)24-15(23)22-11-5-6-13(16(17,18)19)21-14(11)10(20)7-12(22)9-3-4-9/h5-6,8-10,12H,3-4,7,20H2,1-2H3.
What are the key properties of propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
propan-2-yl 4-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 343.35 g/mol, XLogP of 3.63, 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-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 58926715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).