2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine

C72H69Cl4F6N12O16P — CID 162178188

IUPAC2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine
SMILESCCOC(=O)CC(=O)OCC.CCOC(=O)c1cc2cccnc2[nH]c1=O.CCOC(=O)c1cc2cccnc2nc1Cl.COC(=O)c1cc2cccnc2nc1OC.COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.NCc1cccc(C(F)(F)F)c1.Nc1ncccc1C=O.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H14F3N3O2.C11H9ClN2O2.2C11H10N2O3.C8H8F3N.C7H12O4.C6H6N2O.Cl3OP/c1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21;1-2-16-11(15)8-6-7-4-3-5-13-10(7)14-9(8)12;1-15-10-8(11(14)16-2)6-7-4-3-5-12-9(7)13-10;1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14;9-8(10,11)7-3-1-2-6(4-7)5-12;1-3-10-6(8)5-7(9)11-4-2;7-6-5(4-9)2-1-3-8-6;1-5(2,3)4/h2-9H,10H2,1H3,(H,23,25);3-6H,2H2,1H3;3-6H,1-2H3;3-6H,2H2,1H3,(H,12,13,14);1-4H,5,12H2;3-5H2,1-2H3;1-4H,(H2,7,8);
InChIKeyZORAPCZNJUKSSC-UHFFFAOYSA-N
MW1645.19 g/mol
LogP14.53
Rot. Bonds16

About 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine

2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 162178188) has the molecular formula C72H69Cl4F6N12O16P and a molecular weight of 1645.19 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine
PubChem CID162178188
Molecular FormulaC72H69Cl4F6N12O16P
Molecular Weight1645.19 g/mol
Exact Mass1642.34
IUPAC Name2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine
SMILESCCOC(=O)CC(=O)OCC.CCOC(=O)c1cc2cccnc2[nH]c1=O.CCOC(=O)c1cc2cccnc2nc1Cl.COC(=O)c1cc2cccnc2nc1OC.COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.NCc1cccc(C(F)(F)F)c1.Nc1ncccc1C=O.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H14F3N3O2.C11H9ClN2O2.2C11H10N2O3.C8H8F3N.C7H12O4.C6H6N2O.Cl3OP/c1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21;1-2-16-11(15)8-6-7-4-3-5-13-10(7)14-9(8)12;1-15-10-8(11(14)16-2)6-7-4-3-5-12-9(7)13-10;1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14;9-8(10,11)7-3-1-2-6(4-7)5-12;1-3-10-6(8)5-7(9)11-4-2;7-6-5(4-9)2-1-3-8-6;1-5(2,3)4/h2-9H,10H2,1H3,(H,23,25);3-6H,2H2,1H3;3-6H,1-2H3;3-6H,2H2,1H3,(H,12,13,14);1-4H,5,12H2;3-5H2,1-2H3;1-4H,(H2,7,8);
InChIKeyZORAPCZNJUKSSC-UHFFFAOYSA-N
XLogP14.53
TPSA401.22 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.19
LogP ≤ 514.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

2-aminopyridine-3-carboxylic acid;ethyl 4-chloro-2-methyl-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-piperidin-1-yl-1,8-naphthyridine-3-carboxylate;ethyl 3-oxobutanoate;methane;2-methyl-4-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-oxo-1H-pyrido[2,3-d]oxathiazin-4-one;phosphoryl trichloride;piperidine;[3-(trifluoromethyl)phenyl]methanamine
CID 158745534
ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-(methylamino)-1,8-naphthyridine-3-carboxylate;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methanamine
CID 159443954
2-aminopyridine-3-carboxylic acid;ethyl 4-chloro-2-methyl-1,4-dihydro-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-piperidin-1-yl-1,8-naphthyridine-3-carboxylate;ethyl 3-oxobutanoate;methane;2-methyl-4-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-oxo-1H-pyrido[2,3-d]oxathiazin-4-one;phosphoryl trichloride;piperidine;[3-(trifluoromethyl)phenyl]methanamine
CID 160443940
4-chloro-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide;phosphoryl trichloride
CID 160651879
2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 160725131
disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride
CID 158683673

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine (CID 162178188) is 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine is CCOC(=O)CC(=O)OCC.CCOC(=O)c1cc2cccnc2[nH]c1=O.CCOC(=O)c1cc2cccnc2nc1Cl.COC(=O)c1cc2cccnc2nc1OC.COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.NCc1cccc(C(F)(F)F)c1.Nc1ncccc1C=O.O=P(Cl)(Cl)Cl.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZORAPCZNJUKSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2.C11H9ClN2O2.2C11H10N2O3.C8H8F3N.C7H12O4.C6H6N2O.Cl3OP/c1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21;1-2-16-11(15)8-6-7-4-3-5-13-10(7)14-9(8)12;1-15-10-8(11(14)16-2)6-7-4-3-5-12-9(7)13-10;1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14;9-8(10,11)7-3-1-2-6(4-7)5-12;1-3-10-6(8)5-7(9)11-4-2;7-6-5(4-9)2-1-3-8-6;1-5(2,3)4/h2-9H,10H2,1H3,(H,23,25);3-6H,2H2,1H3;3-6H,1-2H3;3-6H,2H2,1H3,(H,12,13,14);1-4H,5,12H2;3-5H2,1-2H3;1-4H,(H2,7,8);.
What are the key properties of 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine?
2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 1645.19 g/mol, XLogP of 14.53, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 162178188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).