tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate

C20H22F3N3O2 — CID 163235847

IUPACtert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cccnc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)28-18(27)25-15-11-13-5-4-10-24-17(13)26(12-15)16-8-6-14(7-9-16)20(21,22)23/h4-10,15H,11-12H2,1-3H3,(H,25,27)
InChIKeyLJWHTWJFYMHQKW-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.69
Rot. Bonds2

About tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate

tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate (PubChem CID 163235847) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate
PubChem CID163235847
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Nametert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cccnc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)28-18(27)25-15-11-13-5-4-10-24-17(13)26(12-15)16-8-6-14(7-9-16)20(21,22)23/h4-10,15H,11-12H2,1-3H3,(H,25,27)
InChIKeyLJWHTWJFYMHQKW-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-carbamoyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 163236042
1-methyl-3-[(4R,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]urea
CID 172543072
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine
CID 161187863
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 122445967
[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl] N-methylcarbamate
CID 172543309
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]pyrrolidin-3-yl]carbamate
CID 155741652
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 131746892
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
tert-butyl N-[1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 175141152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate (CID 163235847) is tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate is CC(C)(C)OC(=O)NC1Cc2cccnc2N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate?
The InChIKey is LJWHTWJFYMHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-19(2,3)28-18(27)25-15-11-13-5-4-10-24-17(13)26(12-15)16-8-6-14(7-9-16)20(21,22)23/h4-10,15H,11-12H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate?
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate has a molecular weight of 393.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 163235847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).