tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate

C67H64Cl5N15O10 — CID 159106702

About tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate

tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate (PubChem CID 159106702) has the molecular formula C67H64Cl5N15O10 and a molecular weight of 1416.61 g/mol. Its IUPAC name is tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate
• PubChem CID: 159106702
• Molecular Formula: C67H64Cl5N15O10
• Molecular Weight: 1416.61 g/mol
• Exact Mass: 1413.34
• IUPAC Name: tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N(Cc1ccncc1Cl)c1ccc(C=O)cn1.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(NCc2ccncc2Cl)nc1.O=Cc1ccc(NCc2ccncc2Cl)nc1.O=Cc1cnccc1Cl.OCc1ccc(NCc2ccncc2Cl)nc1
• InChI: InChI=1S/C17H18ClN3O3.C13H12ClN3O2.C12H12ClN3O.C12H10ClN3O.C7H8N2O2.C6H4ClNO/c1-17(2,3)24-16(23)21(10-13-6-7-19-9-14(13)18)15-5-4-12(11-22)8-20-15;1-19-13(18)10-2-3-12(17-7-10)16-6-9-4-5-15-8-11(9)14;2*13-11-7-14-4-3-10(11)6-16-12-2-1-9(8-17)5-15-12;1-11-7(10)5-2-3-6(8)9-4-5;7-6-1-2-8-3-5(6)4-9/h4-9,11H,10H2,1-3H3;2-5,7-8H,6H2,1H3,(H,16,17);1-5,7,17H,6,8H2,(H,15,16);1-5,7-8H,6H2,(H,15,16);2-4H,1H3,(H2,8,9);1-4H
• InChIKey: KDZAASAHPQSRSS-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 344.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.61
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate?

The IUPAC name of tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate (CID 159106702) is tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate.

What is the SMILES notation for tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate?

The canonical SMILES for tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate is CC(C)(C)OC(=O)N(Cc1ccncc1Cl)c1ccc(C=O)cn1.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(NCc2ccncc2Cl)nc1.O=Cc1ccc(NCc2ccncc2Cl)nc1.O=Cc1cnccc1Cl.OCc1ccc(NCc2ccncc2Cl)nc1.

What is the InChIKey of tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate?

The InChIKey is KDZAASAHPQSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3.C13H12ClN3O2.C12H12ClN3O.C12H10ClN3O.C7H8N2O2.C6H4ClNO/c1-17(2,3)24-16(23)21(10-13-6-7-19-9-14(13)18)15-5-4-12(11-22)8-20-15;1-19-13(18)10-2-3-12(17-7-10)16-6-9-4-5-15-8-11(9)14;2*13-11-7-14-4-3-10(11)6-16-12-2-1-9(8-17)5-15-12;1-11-7(10)5-2-3-6(8)9-4-5;7-6-1-2-8-3-5(6)4-9/h4-9,11H,10H2,1-3H3;2-5,7-8H,6H2,1H3,(H,16,17);1-5,7,17H,6,8H2,(H,15,16);1-5,7-8H,6H2,(H,15,16);2-4H,1H3,(H2,8,9);1-4H.

What are the key properties of tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate?

tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate has a molecular weight of 1416.61 g/mol, XLogP of 13.20, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 159106702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).