N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C24H25F3N4O2 — CID 163408986

IUPACN-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O2/c1-33-21-7-6-19-22(30-21)20(8-12-28-19)29-23(32)17-10-14-31(15-11-17)13-9-16-2-4-18(5-3-16)24(25,26)27/h2-8,12,17H,9-11,13-15H2,1H3,(H,28,29,32)
InChIKeyFGRSEAPAGQKQBO-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.55
Rot. Bonds6

About N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 163408986) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID163408986
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O2/c1-33-21-7-6-19-22(30-21)20(8-12-28-19)29-23(32)17-10-14-31(15-11-17)13-9-16-2-4-18(5-3-16)24(25,26)27/h2-8,12,17H,9-11,13-15H2,1H3,(H,28,29,32)
InChIKeyFGRSEAPAGQKQBO-UHFFFAOYSA-N
XLogP4.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 163408986) is N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1.
What is the InChIKey of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is FGRSEAPAGQKQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-33-21-7-6-19-22(30-21)20(8-12-28-19)29-23(32)17-10-14-31(15-11-17)13-9-16-2-4-18(5-3-16)24(25,26)27/h2-8,12,17H,9-11,13-15H2,1H3,(H,28,29,32).
What are the key properties of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 163408986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).