6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide

C35H35F6N5O2 — CID 53464418

IUPAC6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C(F)(F)F)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(=O)[nH]c12
InChIInChI=1S/C35H35F6N5O2/c36-34(37,38)24-11-7-10-23(20-24)30-26(21-45-18-14-25(15-19-45)46-16-5-2-6-17-46)29(31-27(42-30)12-13-28(47)43-31)33(48)44-32(35(39,40)41)22-8-3-1-4-9-22/h1,3-4,7-13,20,25,32H,2,5-6,14-19,21H2,(H,43,47)(H,44,48)/t32-/m1/s1
InChIKeyHTFKKFFOTCGMBX-JGCGQSQUSA-N
MW671.69 g/mol
LogP7.09
Rot. Bonds7

About 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide

6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide (PubChem CID 53464418) has the molecular formula C35H35F6N5O2 and a molecular weight of 671.69 g/mol. Its IUPAC name is 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide
PubChem CID53464418
Molecular FormulaC35H35F6N5O2
Molecular Weight671.69 g/mol
Exact Mass671.27
IUPAC Name6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C(F)(F)F)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(=O)[nH]c12
InChIInChI=1S/C35H35F6N5O2/c36-34(37,38)24-11-7-10-23(20-24)30-26(21-45-18-14-25(15-19-45)46-16-5-2-6-17-46)29(31-27(42-30)12-13-28(47)43-31)33(48)44-32(35(39,40)41)22-8-3-1-4-9-22/h1,3-4,7-13,20,25,32H,2,5-6,14-19,21H2,(H,43,47)(H,44,48)/t32-/m1/s1
InChIKeyHTFKKFFOTCGMBX-JGCGQSQUSA-N
XLogP7.09
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.69
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide (CID 53464418) is 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide is O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(=O)[nH]c12.
What is the InChIKey of 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide?
The InChIKey is HTFKKFFOTCGMBX-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H35F6N5O2/c36-34(37,38)24-11-7-10-23(20-24)30-26(21-45-18-14-25(15-19-45)46-16-5-2-6-17-46)29(31-27(42-30)12-13-28(47)43-31)33(48)44-32(35(39,40)41)22-8-3-1-4-9-22/h1,3-4,7-13,20,25,32H,2,5-6,14-19,21H2,(H,43,47)(H,44,48)/t32-/m1/s1.
What are the key properties of 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide?
6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide has a molecular weight of 671.69 g/mol, XLogP of 7.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-5H-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 53464418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).