8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C33H43F3N8O3 — CID 146178145

IUPAC8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCCC1CN(C(=O)Nc2cnc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc(NCCCOC)c3)cnc21
InChIInChI=1S/C33H43F3N8O3/c1-4-23-20-44(21-24-15-27(19-40-31(23)24)47-26-7-9-38-30(17-26)37-8-6-14-46-3)32(45)41-25-16-28(33(34,35)36)29(39-18-25)22-43-12-10-42(5-2)11-13-43/h7,9,15-19,23H,4-6,8,10-14,20-22H2,1-3H3,(H,37,38)(H,41,45)
InChIKeyRPLUFLHMSFINIL-UHFFFAOYSA-N
MW656.75 g/mol
LogP5.81
Rot. Bonds12

About 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146178145) has the molecular formula C33H43F3N8O3 and a molecular weight of 656.75 g/mol. Its IUPAC name is 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146178145
Molecular FormulaC33H43F3N8O3
Molecular Weight656.75 g/mol
Exact Mass656.34
IUPAC Name8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCCC1CN(C(=O)Nc2cnc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc(NCCCOC)c3)cnc21
InChIInChI=1S/C33H43F3N8O3/c1-4-23-20-44(21-24-15-27(19-40-31(23)24)47-26-7-9-38-30(17-26)37-8-6-14-46-3)32(45)41-25-16-28(33(34,35)36)29(39-18-25)22-43-12-10-42(5-2)11-13-43/h7,9,15-19,23H,4-6,8,10-14,20-22H2,1-3H3,(H,37,38)(H,41,45)
InChIKeyRPLUFLHMSFINIL-UHFFFAOYSA-N
XLogP5.81
TPSA107.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146178145) is 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is CCC1CN(C(=O)Nc2cnc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc(NCCCOC)c3)cnc21.
What is the InChIKey of 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is RPLUFLHMSFINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F3N8O3/c1-4-23-20-44(21-24-15-27(19-40-31(23)24)47-26-7-9-38-30(17-26)37-8-6-14-46-3)32(45)41-25-16-28(33(34,35)36)29(39-18-25)22-43-12-10-42(5-2)11-13-43/h7,9,15-19,23H,4-6,8,10-14,20-22H2,1-3H3,(H,37,38)(H,41,45).
What are the key properties of 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 656.75 g/mol, XLogP of 5.81, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146178145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).