N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide

C24H25F2N7O3 — CID 146665389

About N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide

N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide (PubChem CID 146665389) has the molecular formula C24H25F2N7O3 and a molecular weight of 497.51 g/mol. Its IUPAC name is N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide
• PubChem CID: 146665389
• Molecular Formula: C24H25F2N7O3
• Molecular Weight: 497.51 g/mol
• Exact Mass: 497.20
• IUPAC Name: N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide
• SMILES: CN1CCN(Cc2ccc(C(F)(F)C(=O)Nc3cc(NCC4CC4)c(C#N)cn3)nc2C=O)C(=O)C1
• InChI: InChI=1S/C24H25F2N7O3/c1-32-6-7-33(22(35)13-32)12-16-4-5-20(30-19(16)14-34)24(25,26)23(36)31-21-8-18(17(9-27)11-29-21)28-10-15-2-3-15/h4-5,8,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H2,28,29,31,36)
• InChIKey: VGPJRXSVMCIUNG-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 131.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.51
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide (CID 146665389) is N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide is CN1CCN(Cc2ccc(C(F)(F)C(=O)Nc3cc(NCC4CC4)c(C#N)cn3)nc2C=O)C(=O)C1.

What is the InChIKey of N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide?

The InChIKey is VGPJRXSVMCIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O3/c1-32-6-7-33(22(35)13-32)12-16-4-5-20(30-19(16)14-34)24(25,26)23(36)31-21-8-18(17(9-27)11-29-21)28-10-15-2-3-15/h4-5,8,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H2,28,29,31,36).

What are the key properties of N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide?

N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide has a molecular weight of 497.51 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(cyclopropylmethylamino)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 146665389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).