N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide

C24H25F3N4O2 — CID 163408985

IUPACN-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O2/c1-33-21-11-10-19-22(31-21)20(12-13-28-19)30-23(32)16-4-8-18(9-5-16)29-14-15-2-6-17(7-3-15)24(25,26)27/h2-3,6-7,10-13,16,18,29H,4-5,8-9,14H2,1H3,(H,28,30,32)
InChIKeyHYPVIZDRHBBZPJ-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.94
Rot. Bonds6

About N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide

N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide (PubChem CID 163408985) 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)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
PubChem CID163408985
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O2/c1-33-21-11-10-19-22(31-21)20(12-13-28-19)30-23(32)16-4-8-18(9-5-16)29-14-15-2-6-17(7-3-15)24(25,26)27/h2-3,6-7,10-13,16,18,29H,4-5,8-9,14H2,1H3,(H,28,30,32)
InChIKeyHYPVIZDRHBBZPJ-UHFFFAOYSA-N
XLogP4.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
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)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide (CID 163408985) is N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3CCC(NCc4ccc(C(F)(F)F)cc4)CC3)c2n1.
What is the InChIKey of N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The InChIKey is HYPVIZDRHBBZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-33-21-11-10-19-22(31-21)20(12-13-28-19)30-23(32)16-4-8-18(9-5-16)29-14-15-2-6-17(7-3-15)24(25,26)27/h2-3,6-7,10-13,16,18,29H,4-5,8-9,14H2,1H3,(H,28,30,32).
What are the key properties of N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide?
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 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)-4-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 163408985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).