1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid

C24H27N5O2 — CID 119098910

About 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid

1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid (PubChem CID 119098910) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid
• PubChem CID: 119098910
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid
• SMILES: Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2ccc(N3CCC3C(=O)O)nc2)c1
• InChI: InChI=1S/C24H27N5O2/c1-15-11-18(16-5-6-22(26-14-16)29-10-8-19(29)23(30)31)27-21(12-15)28-20-13-17(7-9-25-20)24(2,3)4/h5-7,9,11-14,19H,8,10H2,1-4H3,(H,30,31)(H,25,27,28)
• InChIKey: QFKBEQQDHYDUJB-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid?

The IUPAC name of 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid (CID 119098910) is 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid.

What is the SMILES notation for 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid?

The canonical SMILES for 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid is Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2ccc(N3CCC3C(=O)O)nc2)c1.

What is the InChIKey of 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid?

The InChIKey is QFKBEQQDHYDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-11-18(16-5-6-22(26-14-16)29-10-8-19(29)23(30)31)27-21(12-15)28-20-13-17(7-9-25-20)24(2,3)4/h5-7,9,11-14,19H,8,10H2,1-4H3,(H,30,31)(H,25,27,28).

What are the key properties of 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid?

1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid has a molecular weight of 417.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[6-[(4-tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 119098910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).