tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane

C94H135F2N17O17 — CID 158759548

IUPACtert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane
SMILESC.C.C.CNCc1cc2c(nc1C(OC)OC)CCCC2.CNCc1cc2c(nc1C(OC)OC)N(C(=O)Nc1cc(F)c(C#N)cn1)CCC2.COC(OC)c1nc2c(cc1C=O)CCCC2.COC(OC)c1nc2c(cc1CN(C)C(=O)OC(C)(C)C)CCCC2.COC(OC)c1nc2c(cc1CN(C)C(=O)OC(C)(C)C)CCCN2C(=O)Nc1cc(F)c(C#N)cn1
InChIInChI=1S/C25H31FN6O5.C20H23FN6O3.C19H30N2O4.C14H22N2O2.C13H17NO3.3CH4/c1-25(2,3)37-24(34)31(4)14-16-10-15-8-7-9-32(21(15)30-20(16)22(35-5)36-6)23(33)29-19-11-18(26)17(12-27)13-28-19;1-23-10-13-7-12-5-4-6-27(18(12)26-17(13)19(29-2)30-3)20(28)25-16-8-15(21)14(9-22)11-24-16;1-19(2,3)25-18(22)21(4)12-14-11-13-9-7-8-10-15(13)20-16(14)17(23-5)24-6;1-15-9-11-8-10-6-4-5-7-12(10)16-13(11)14(17-2)18-3;1-16-13(17-2)12-10(8-15)7-9-5-3-4-6-11(9)14-12;;;/h10-11,13,22H,7-9,14H2,1-6H3,(H,28,29,33);7-8,11,19,23H,4-6,10H2,1-3H3,(H,24,25,28);11,17H,7-10,12H2,1-6H3;8,14-15H,4-7,9H2,1-3H3;7-8,13H,3-6H2,1-2H3;3*1H4
InChIKeyIOMIXTBGOLMCQU-UHFFFAOYSA-N
MW1813.21 g/mol
LogP16.18
Rot. Bonds26

About tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane

tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane (PubChem CID 158759548) has the molecular formula C94H135F2N17O17 and a molecular weight of 1813.21 g/mol. Its IUPAC name is tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane.

Molecular Properties

Compound Nametert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane
PubChem CID158759548
Molecular FormulaC94H135F2N17O17
Molecular Weight1813.21 g/mol
Exact Mass1812.02
IUPAC Nametert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane
SMILESC.C.C.CNCc1cc2c(nc1C(OC)OC)CCCC2.CNCc1cc2c(nc1C(OC)OC)N(C(=O)Nc1cc(F)c(C#N)cn1)CCC2.COC(OC)c1nc2c(cc1C=O)CCCC2.COC(OC)c1nc2c(cc1CN(C)C(=O)OC(C)(C)C)CCCC2.COC(OC)c1nc2c(cc1CN(C)C(=O)OC(C)(C)C)CCCN2C(=O)Nc1cc(F)c(C#N)cn1
InChIInChI=1S/C25H31FN6O5.C20H23FN6O3.C19H30N2O4.C14H22N2O2.C13H17NO3.3CH4/c1-25(2,3)37-24(34)31(4)14-16-10-15-8-7-9-32(21(15)30-20(16)22(35-5)36-6)23(33)29-19-11-18(26)17(12-27)13-28-19;1-23-10-13-7-12-5-4-6-27(18(12)26-17(13)19(29-2)30-3)20(28)25-16-8-15(21)14(9-22)11-24-16;1-19(2,3)25-18(22)21(4)12-14-11-13-9-7-8-10-15(13)20-16(14)17(23-5)24-6;1-15-9-11-8-10-6-4-5-7-12(10)16-13(11)14(17-2)18-3;1-16-13(17-2)12-10(8-15)7-9-5-3-4-6-11(9)14-12;;;/h10-11,13,22H,7-9,14H2,1-6H3,(H,28,29,33);7-8,11,19,23H,4-6,10H2,1-3H3,(H,24,25,28);11,17H,7-10,12H2,1-6H3;8,14-15H,4-7,9H2,1-3H3;7-8,13H,3-6H2,1-2H3;3*1H4
InChIKeyIOMIXTBGOLMCQU-UHFFFAOYSA-N
XLogP16.18
TPSA395.00 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.21
LogP ≤ 516.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane?
The IUPAC name of tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane (CID 158759548) is tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane.
What is the SMILES notation for tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane?
The canonical SMILES for tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane is C.C.C.CNCc1cc2c(nc1C(OC)OC)CCCC2.CNCc1cc2c(nc1C(OC)OC)N(C(=O)Nc1cc(F)c(C#N)cn1)CCC2.COC(OC)c1nc2c(cc1C=O)CCCC2.COC(OC)c1nc2c(cc1CN(C)C(=O)OC(C)(C)C)CCCC2.COC(OC)c1nc2c(cc1CN(C)C(=O)OC(C)(C)C)CCCN2C(=O)Nc1cc(F)c(C#N)cn1.
What is the InChIKey of tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane?
The InChIKey is IOMIXTBGOLMCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O5.C20H23FN6O3.C19H30N2O4.C14H22N2O2.C13H17NO3.3CH4/c1-25(2,3)37-24(34)31(4)14-16-10-15-8-7-9-32(21(15)30-20(16)22(35-5)36-6)23(33)29-19-11-18(26)17(12-27)13-28-19;1-23-10-13-7-12-5-4-6-27(18(12)26-17(13)19(29-2)30-3)20(28)25-16-8-15(21)14(9-22)11-24-16;1-19(2,3)25-18(22)21(4)12-14-11-13-9-7-8-10-15(13)20-16(14)17(23-5)24-6;1-15-9-11-8-10-6-4-5-7-12(10)16-13(11)14(17-2)18-3;1-16-13(17-2)12-10(8-15)7-9-5-3-4-6-11(9)14-12;;;/h10-11,13,22H,7-9,14H2,1-6H3,(H,28,29,33);7-8,11,19,23H,4-6,10H2,1-3H3,(H,24,25,28);11,17H,7-10,12H2,1-6H3;8,14-15H,4-7,9H2,1-3H3;7-8,13H,3-6H2,1-2H3;3*1H4.
What are the key properties of tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane?
tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane has a molecular weight of 1813.21 g/mol, XLogP of 16.18, 26 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[8-[(5-cyano-4-fluoro-2-pyridinyl)carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-N-methylcarbamate;N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-(methylaminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]-N-methylmethanamine;methane is sourced from PubChem (CID 158759548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).