5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

C25H26ClN7O — CID 25061198

About 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 25061198) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 25061198
• Molecular Formula: C25H26ClN7O
• Molecular Weight: 475.98 g/mol
• Exact Mass: 475.19
• IUPAC Name: 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
• SMILES: CCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)nc2)c(Cl)c1
• InChI: InChI=1S/C25H26ClN7O/c1-3-27-25(34)17-12-19(26)23(29-15-17)16-4-6-21(28-14-16)24-30-20-7-5-18(13-22(20)31-24)33-10-8-32(2)9-11-33/h4-7,12-15H,3,8-11H2,1-2H3,(H,27,34)(H,30,31)
• InChIKey: GVUOWZDXZHCBBK-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.98
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 25061198) is 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is CCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)nc2)c(Cl)c1.

What is the InChIKey of 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

The InChIKey is GVUOWZDXZHCBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-3-27-25(34)17-12-19(26)23(29-15-17)16-4-6-21(28-14-16)24-30-20-7-5-18(13-22(20)31-24)33-10-8-32(2)9-11-33/h4-7,12-15H,3,8-11H2,1-2H3,(H,27,34)(H,30,31).

What are the key properties of 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 25061198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).