dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate

C62H87Cl5Cs2N12O11 — CID 161262969

About dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate

dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate (PubChem CID 161262969) has the molecular formula C62H87Cl5Cs2N12O11 and a molecular weight of 1619.53 g/mol. Its IUPAC name is dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate.

Molecular Properties

• Compound Name: dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate
• PubChem CID: 161262969
• Molecular Formula: C62H87Cl5Cs2N12O11
• Molecular Weight: 1619.53 g/mol
• Exact Mass: 1616.32
• IUPAC Name: dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate
• SMILES: CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCN(C)CC1.CN1CCC(N)CC1.CN1CCC(Nc2cc(Cl)ncc2C=O)CC1.CN1CCC(Nc2cc(Cl)ncc2CO)CC1.COC(=O)Cc1ccccc1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C14H20ClN3O2.C12H18ClN3O.C12H16ClN3O.C9H10O2.C8H7Cl2NO2.C6H14N2.CH2O3.2Cs.H/c1-3-20-14(19)11-9-16-13(15)8-12(11)17-10-4-6-18(2)7-5-10;2*1-16-4-2-10(3-5-16)15-11-6-12(13)14-7-9(11)8-17;1-11-9(10)7-8-5-3-2-4-6-8;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-8-4-2-6(7)3-5-8;2-1-4-3;;;/h8-10H,3-7H2,1-2H3,(H,16,17);6-7,10,17H,2-5,8H2,1H3,(H,14,15);6-8,10H,2-5H2,1H3,(H,14,15);2-6H,7H2,1H3;3-4H,2H2,1H3;6H,2-5,7H2,1H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: CAUNSQIZQWDLDH-UHFFFAOYSA-M
• XLogP: 2.77
• TPSA: 292.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1619.53
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate?

The IUPAC name of dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate (CID 161262969) is dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate.

What is the SMILES notation for dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate?

The canonical SMILES for dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate is CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCN(C)CC1.CN1CCC(N)CC1.CN1CCC(Nc2cc(Cl)ncc2C=O)CC1.CN1CCC(Nc2cc(Cl)ncc2CO)CC1.COC(=O)Cc1ccccc1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate?

The InChIKey is CAUNSQIZQWDLDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20ClN3O2.C12H18ClN3O.C12H16ClN3O.C9H10O2.C8H7Cl2NO2.C6H14N2.CH2O3.2Cs.H/c1-3-20-14(19)11-9-16-13(15)8-12(11)17-10-4-6-18(2)7-5-10;2*1-16-4-2-10(3-5-16)15-11-6-12(13)14-7-9(11)8-17;1-11-9(10)7-8-5-3-2-4-6-8;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-8-4-2-6(7)3-5-8;2-1-4-3;;;/h8-10H,3-7H2,1-2H3,(H,16,17);6-7,10,17H,2-5,8H2,1H3,(H,14,15);6-8,10H,2-5H2,1H3,(H,14,15);2-6H,7H2,1H3;3-4H,2H2,1H3;6H,2-5,7H2,1H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate?

dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate has a molecular weight of 1619.53 g/mol, XLogP of 2.77, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate is sourced from PubChem (CID 161262969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).