2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C65H75N7O15 — CID 167567939

IUPAC2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(OC)C(C)=O.COC(OC)c1ccc2c(n1)CCCC2.COC(OC)c1ccc2c(n1)N(C(=O)Oc1ccccc1)CCC2.COC(OC)c1ccc2cccnc2n1.Nc1ncccc1C=O.O=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H20N2O4.C13H10O3.C12H17NO2.C11H12N2O2.C6H6N2O.C5H10O3/c1-22-17(23-2)15-11-10-13-7-6-12-20(16(13)19-15)18(21)24-14-8-4-3-5-9-14;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-14-12(15-2)11-8-7-9-5-3-4-6-10(9)13-11;1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;7-6-5(4-9)2-1-3-8-6;1-4(6)5(7-2)8-3/h3-5,8-11,17H,6-7,12H2,1-2H3;1-10H;7-8,12H,3-6H2,1-2H3;3-7,11H,1-2H3;1-4H,(H2,7,8);5H,1-3H3
InChIKeyFNIJAZBWZIWTJB-UHFFFAOYSA-N
MW1194.35 g/mol
LogP11.43
Rot. Bonds16

About 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 167567939) has the molecular formula C65H75N7O15 and a molecular weight of 1194.35 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID167567939
Molecular FormulaC65H75N7O15
Molecular Weight1194.35 g/mol
Exact Mass1193.53
IUPAC Name2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(OC)C(C)=O.COC(OC)c1ccc2c(n1)CCCC2.COC(OC)c1ccc2c(n1)N(C(=O)Oc1ccccc1)CCC2.COC(OC)c1ccc2cccnc2n1.Nc1ncccc1C=O.O=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H20N2O4.C13H10O3.C12H17NO2.C11H12N2O2.C6H6N2O.C5H10O3/c1-22-17(23-2)15-11-10-13-7-6-12-20(16(13)19-15)18(21)24-14-8-4-3-5-9-14;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-14-12(15-2)11-8-7-9-5-3-4-6-10(9)13-11;1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;7-6-5(4-9)2-1-3-8-6;1-4(6)5(7-2)8-3/h3-5,8-11,17H,6-7,12H2,1-2H3;1-10H;7-8,12H,3-6H2,1-2H3;3-7,11H,1-2H3;1-4H,(H2,7,8);5H,1-3H3
InChIKeyFNIJAZBWZIWTJB-UHFFFAOYSA-N
XLogP11.43
TPSA263.52 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001194.35
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

2-Aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
CID 159379990
2-Aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;1,1-dimethoxypropan-2-one
CID 161349478
1-(2-amino-3-pyridinyl)ethanone;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-amine;N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1,1-dimethoxypropan-2-one;diphenyl carbonate;methane;2-(1-methoxypropyl)-4-methyl-1,8-naphthyridine;2-(1-methoxypropyl)-4-methyl-5,6,7,8-tetrahydroquinoline;phenyl 7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 167608078
2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine
CID 172937549
2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine
CID 172972247

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 167567939) is 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COC(OC)C(C)=O.COC(OC)c1ccc2c(n1)CCCC2.COC(OC)c1ccc2c(n1)N(C(=O)Oc1ccccc1)CCC2.COC(OC)c1ccc2cccnc2n1.Nc1ncccc1C=O.O=C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is FNIJAZBWZIWTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.C13H10O3.C12H17NO2.C11H12N2O2.C6H6N2O.C5H10O3/c1-22-17(23-2)15-11-10-13-7-6-12-20(16(13)19-15)18(21)24-14-8-4-3-5-9-14;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-14-12(15-2)11-8-7-9-5-3-4-6-10(9)13-11;1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;7-6-5(4-9)2-1-3-8-6;1-4(6)5(7-2)8-3/h3-5,8-11,17H,6-7,12H2,1-2H3;1-10H;7-8,12H,3-6H2,1-2H3;3-7,11H,1-2H3;1-4H,(H2,7,8);5H,1-3H3.
What are the key properties of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 1194.35 g/mol, XLogP of 11.43, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline;1,1-dimethoxypropan-2-one;diphenyl carbonate;phenyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 167567939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).