ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate

C63H81N9O6 — CID 157324793

About ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate

ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate (PubChem CID 157324793) has the molecular formula C63H81N9O6 and a molecular weight of 1060.40 g/mol. Its IUPAC name is ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
• PubChem CID: 157324793
• Molecular Formula: C63H81N9O6
• Molecular Weight: 1060.40 g/mol
• Exact Mass: 1059.63
• IUPAC Name: ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncn2)c1
• InChI: InChI=1S/C22H28N2O2.C21H27N3O2.C20H26N4O2/c1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-2-26-21(25)18-13-20(23-14-17-8-10-22-11-9-17)19(24-15-18)12-16-6-4-3-5-7-16;1-2-26-20(25)16-11-19(23-13-17-8-9-21-14-24-17)18(22-12-16)10-15-6-4-3-5-7-15/h4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;8-11,13,15-16,23H,2-7,12,14H2,1H3;8-9,11-12,14-15,23H,2-7,10,13H2,1H3
• InChIKey: BEOXTZJAWAUBOL-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 192.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.40
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate?

The IUPAC name of ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate (CID 157324793) is ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncn2)c1.

What is the InChIKey of ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate?

The InChIKey is BEOXTZJAWAUBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.C21H27N3O2.C20H26N4O2/c1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-2-26-21(25)18-13-20(23-14-17-8-10-22-11-9-17)19(24-15-18)12-16-6-4-3-5-7-16;1-2-26-20(25)16-11-19(23-13-17-8-9-21-14-24-17)18(22-12-16)10-15-6-4-3-5-7-15/h4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;8-11,13,15-16,23H,2-7,12,14H2,1H3;8-9,11-12,14-15,23H,2-7,10,13H2,1H3.

What are the key properties of ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate?

ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 1060.40 g/mol, XLogP of 13.16, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 157324793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).