N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C24H25F3N4O2 — CID 166625800

IUPACN-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc2nccc(NC(=O)CC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O2/c1-33-22-7-6-19-23(30-22)20(8-11-28-19)29-21(32)14-16-9-12-31(13-10-16)15-17-2-4-18(5-3-17)24(25,26)27/h2-8,11,16H,9-10,12-15H2,1H3,(H,28,29,32)
InChIKeyBNIVWNRNXPSNME-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.90
Rot. Bonds6

About N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 166625800) 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)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID166625800
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc2nccc(NC(=O)CC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O2/c1-33-22-7-6-19-23(30-22)20(8-11-28-19)29-21(32)14-16-9-12-31(13-10-16)15-17-2-4-18(5-3-17)24(25,26)27/h2-8,11,16H,9-10,12-15H2,1H3,(H,28,29,32)
InChIKeyBNIVWNRNXPSNME-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
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)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 166625800) is N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is COc1ccc2nccc(NC(=O)CC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2n1.
What is the InChIKey of N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is BNIVWNRNXPSNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-33-22-7-6-19-23(30-22)20(8-11-28-19)29-21(32)14-16-9-12-31(13-10-16)15-17-2-4-18(5-3-17)24(25,26)27/h2-8,11,16H,9-10,12-15H2,1H3,(H,28,29,32).
What are the key properties of N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
N-(6-methoxy-1,5-naphthyridin-4-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 458.48 g/mol, XLogP of 4.90, 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)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 166625800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).