2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C20H19F4N3O3 — CID 162659400

IUPAC2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OCC(F)(F)F
InChIInChI=1S/C20H19F4N3O3/c1-12(25-18(28)13-4-6-14(21)7-5-13)15-8-9-17-16(26-15)3-2-10-27(17)19(29)30-11-20(22,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,25,28)/t12-/m1/s1
InChIKeyBYWIYHSKURJHFU-GFCCVEGCSA-N
MW425.38 g/mol
LogP4.16
Rot. Bonds4

About 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 162659400) has the molecular formula C20H19F4N3O3 and a molecular weight of 425.38 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID162659400
Molecular FormulaC20H19F4N3O3
Molecular Weight425.38 g/mol
Exact Mass425.14
IUPAC Name2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OCC(F)(F)F
InChIInChI=1S/C20H19F4N3O3/c1-12(25-18(28)13-4-6-14(21)7-5-13)15-8-9-17-16(26-15)3-2-10-27(17)19(29)30-11-20(22,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,25,28)/t12-/m1/s1
InChIKeyBYWIYHSKURJHFU-GFCCVEGCSA-N
XLogP4.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 162659400) is 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is BYWIYHSKURJHFU-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19F4N3O3/c1-12(25-18(28)13-4-6-14(21)7-5-13)15-8-9-17-16(26-15)3-2-10-27(17)19(29)30-11-20(22,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,25,28)/t12-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 425.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 162659400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).