N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide

C23H31F3N6O2 — CID 170408093

IUPACN-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide
SMILESO=C(NC1CCN(CCN2CCCOCC2)CC1)c1ccc2nc(NCC(F)(F)F)ccc2n1
InChIInChI=1S/C23H31F3N6O2/c24-23(25,26)16-27-21-5-4-18-19(30-21)2-3-20(29-18)22(33)28-17-6-9-32(10-7-17)12-11-31-8-1-14-34-15-13-31/h2-5,17H,1,6-16H2,(H,27,30)(H,28,33)
InChIKeySBKWCIDJGHZVIM-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.52
Rot. Bonds7

About N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide

N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide (PubChem CID 170408093) has the molecular formula C23H31F3N6O2 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide
PubChem CID170408093
Molecular FormulaC23H31F3N6O2
Molecular Weight480.54 g/mol
Exact Mass480.25
IUPAC NameN-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide
SMILESO=C(NC1CCN(CCN2CCCOCC2)CC1)c1ccc2nc(NCC(F)(F)F)ccc2n1
InChIInChI=1S/C23H31F3N6O2/c24-23(25,26)16-27-21-5-4-18-19(30-21)2-3-20(29-18)22(33)28-17-6-9-32(10-7-17)12-11-31-8-1-14-34-15-13-31/h2-5,17H,1,6-16H2,(H,27,30)(H,28,33)
InChIKeySBKWCIDJGHZVIM-UHFFFAOYSA-N
XLogP2.52
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide (CID 170408093) is N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide is O=C(NC1CCN(CCN2CCCOCC2)CC1)c1ccc2nc(NCC(F)(F)F)ccc2n1.
What is the InChIKey of N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide?
The InChIKey is SBKWCIDJGHZVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N6O2/c24-23(25,26)16-27-21-5-4-18-19(30-21)2-3-20(29-18)22(33)28-17-6-9-32(10-7-17)12-11-31-8-1-14-34-15-13-31/h2-5,17H,1,6-16H2,(H,27,30)(H,28,33).
What are the key properties of N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide?
N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-yl]-6-(2,2,2-trifluoroethylamino)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 170408093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).