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

C31H39F3N8O3 — CID 146178150

IUPAC8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-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(NCCO)c3)cnc21
InChIInChI=1S/C31H39F3N8O3/c1-3-21-18-42(19-22-13-25(17-38-29(21)22)45-24-5-6-35-28(15-24)36-7-12-43)30(44)39-23-14-26(31(32,33)34)27(37-16-23)20-41-10-8-40(4-2)9-11-41/h5-6,13-17,21,43H,3-4,7-12,18-20H2,1-2H3,(H,35,36)(H,39,44)
InChIKeyNPJQEZAOANWCEG-UHFFFAOYSA-N
MW628.70 g/mol
LogP4.77
Rot. Bonds10

About 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146178150) has the molecular formula C31H39F3N8O3 and a molecular weight of 628.70 g/mol. Its IUPAC name is 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146178150
Molecular FormulaC31H39F3N8O3
Molecular Weight628.70 g/mol
Exact Mass628.31
IUPAC Name8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-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(NCCO)c3)cnc21
InChIInChI=1S/C31H39F3N8O3/c1-3-21-18-42(19-22-13-25(17-38-29(21)22)45-24-5-6-35-28(15-24)36-7-12-43)30(44)39-23-14-26(31(32,33)34)27(37-16-23)20-41-10-8-40(4-2)9-11-41/h5-6,13-17,21,43H,3-4,7-12,18-20H2,1-2H3,(H,35,36)(H,39,44)
InChIKeyNPJQEZAOANWCEG-UHFFFAOYSA-N
XLogP4.77
TPSA118.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.70
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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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-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146178150) is 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-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(NCCO)c3)cnc21.
What is the InChIKey of 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is NPJQEZAOANWCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39F3N8O3/c1-3-21-18-42(19-22-13-25(17-38-29(21)22)45-24-5-6-35-28(15-24)36-7-12-43)30(44)39-23-14-26(31(32,33)34)27(37-16-23)20-41-10-8-40(4-2)9-11-41/h5-6,13-17,21,43H,3-4,7-12,18-20H2,1-2H3,(H,35,36)(H,39,44).
What are the key properties of 8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 628.70 g/mol, XLogP of 4.77, 10 rotatable bonds, 3 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-(2-hydroxyethylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146178150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).