6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid

C24H23N7O4 — CID 166799120

About 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid

6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 166799120) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 166799120
• Molecular Formula: C24H23N7O4
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.18
• IUPAC Name: 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid
• SMILES: CCC(=O)c1cnc(Nc2ccc(C(=O)O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C24H23N7O4/c1-4-19(32)16-12-26-21(29-20-9-8-14(11-25-20)24(33)34)10-18(16)28-17-7-5-6-15(22(17)35-3)23-27-13-31(2)30-23/h5-13H,4H2,1-3H3,(H,33,34)(H2,25,26,28,29)
• InChIKey: GYIKUVFRTUWVFM-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 144.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid (CID 166799120) is 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid is CCC(=O)c1cnc(Nc2ccc(C(=O)O)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid?

The InChIKey is GYIKUVFRTUWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-4-19(32)16-12-26-21(29-20-9-8-14(11-25-20)24(33)34)10-18(16)28-17-7-5-6-15(22(17)35-3)23-27-13-31(2)30-23/h5-13H,4H2,1-3H3,(H,33,34)(H2,25,26,28,29).

What are the key properties of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid?

6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 473.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 166799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).