N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide

C30H30Cl2N6O4 — CID 146206921

About N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide

N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 146206921) has the molecular formula C30H30Cl2N6O4 and a molecular weight of 609.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 146206921
• Molecular Formula: C30H30Cl2N6O4
• Molecular Weight: 609.51 g/mol
• Exact Mass: 608.17
• IUPAC Name: N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)NCCN)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)NCCN
• InChI: InChI=1S/C30H30Cl2N6O4/c1-41-29-21(27(39)35-15-13-33)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)42-2)28(40)36-16-14-34/h3-12H,13-16,33-34H2,1-2H3,(H,35,39)(H,36,40)
• InChIKey: HTQKAUZXAQLOSQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 154.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide (CID 146206921) is N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)NCCN)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)NCCN.

What is the InChIKey of N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is HTQKAUZXAQLOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N6O4/c1-41-29-21(27(39)35-15-13-33)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)42-2)28(40)36-16-14-34/h3-12H,13-16,33-34H2,1-2H3,(H,35,39)(H,36,40).

What are the key properties of N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?

N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 609.51 g/mol, XLogP of 4.18, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 146206921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).