tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine

C120H143Cl8MnN19O27 — CID 158577547

About tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine

tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine (PubChem CID 158577547) has the molecular formula C120H143Cl8MnN19O27 and a molecular weight of 2622.13 g/mol. Its IUPAC name is tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine
• PubChem CID: 158577547
• Molecular Formula: C120H143Cl8MnN19O27
• Molecular Weight: 2622.13 g/mol
• Exact Mass: 2616.73
• IUPAC Name: tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine
• SMILES: C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCO.CCOC(=O)C(=CNc1cccnc1)C(=O)OCC.CCOC(=O)c1c[nH]c2cccnc2c1=O.CCOC(=O)c1cnc2cccnc2c1Cl.CCOC=C(C(=O)OCC)C(=O)OCC.CN.CN(Cc1cnc2cccnc2c1Cl)C(=O)OC(C)(C)C.CNCc1cnc2cccnc2c1Cl.ClC(Cl)Cl.Nc1cccnc1.O=Cc1cnc2cccnc2c1Cl.O=[Mn]=O.OCC1=C(Cl)c2ncccc2NC1.c1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C15H18ClN3O2.C13H16N2O4.C12H10O.C11H9ClN2O2.C11H10N2O3.C10H10ClN3.C10H18O5.C10H16O5.C9H9ClN2O.C9H5ClN2O.C5H6N2.C2H6O.CHCl3.CH5N.CH4.Mn.2O/c1-15(2,3)21-14(20)19(4)9-10-8-18-11-6-5-7-17-13(11)12(10)16;1-3-18-12(16)11(13(17)19-4-2)9-15-10-6-5-7-14-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-16-11(15)7-6-14-8-4-3-5-13-10(8)9(7)12;1-2-16-11(15)7-6-13-8-4-3-5-12-9(8)10(7)14;1-12-5-7-6-14-8-3-2-4-13-10(8)9(7)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;2*10-8-6(5-13)4-12-7-2-1-3-11-9(7)8;6-5-2-1-3-7-4-5;1-2-3;2-1(3)4;1-2;;;;/h5-8H,9H2,1-4H3;5-9,15H,3-4H2,1-2H3;1-10H;3-6H,2H2,1H3;3-6H,2H2,1H3,(H,13,14);2-4,6,12H,5H2,1H3;1-6H3;7H,4-6H2,1-3H3;1-3,12-13H,4-5H2;1-5H;1-4H,6H2;3H,2H2,1H3;1H;2H2,1H3;1H4
• InChIKey: AOJDTLZCBAJETD-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 634.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.13
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine?

The IUPAC name of tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine (CID 158577547) is tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine.

What is the SMILES notation for tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine?

The canonical SMILES for tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine is C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCO.CCOC(=O)C(=CNc1cccnc1)C(=O)OCC.CCOC(=O)c1c[nH]c2cccnc2c1=O.CCOC(=O)c1cnc2cccnc2c1Cl.CCOC=C(C(=O)OCC)C(=O)OCC.CN.CN(Cc1cnc2cccnc2c1Cl)C(=O)OC(C)(C)C.CNCc1cnc2cccnc2c1Cl.ClC(Cl)Cl.Nc1cccnc1.O=Cc1cnc2cccnc2c1Cl.O=[Mn]=O.OCC1=C(Cl)c2ncccc2NC1.c1ccc(Oc2ccccc2)cc1.

What is the InChIKey of tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine?

The InChIKey is AOJDTLZCBAJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2.C13H16N2O4.C12H10O.C11H9ClN2O2.C11H10N2O3.C10H10ClN3.C10H18O5.C10H16O5.C9H9ClN2O.C9H5ClN2O.C5H6N2.C2H6O.CHCl3.CH5N.CH4.Mn.2O/c1-15(2,3)21-14(20)19(4)9-10-8-18-11-6-5-7-17-13(11)12(10)16;1-3-18-12(16)11(13(17)19-4-2)9-15-10-6-5-7-14-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-16-11(15)7-6-14-8-4-3-5-13-10(8)9(7)12;1-2-16-11(15)7-6-13-8-4-3-5-12-9(8)10(7)14;1-12-5-7-6-14-8-3-2-4-13-10(8)9(7)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;2*10-8-6(5-13)4-12-7-2-1-3-11-9(7)8;6-5-2-1-3-7-4-5;1-2-3;2-1(3)4;1-2;;;;/h5-8H,9H2,1-4H3;5-9,15H,3-4H2,1-2H3;1-10H;3-6H,2H2,1H3;3-6H,2H2,1H3,(H,13,14);2-4,6,12H,5H2,1H3;1-6H3;7H,4-6H2,1-3H3;1-3,12-13H,4-5H2;1-5H;1-4H,6H2;3H,2H2,1H3;1H;2H2,1H3;1H4;;;.

What are the key properties of tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine?

tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine has a molecular weight of 2622.13 g/mol, XLogP of 24.27, 24 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine is sourced from PubChem (CID 158577547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).