N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid

C33H31Cl2N7O7S — CID 157206293

About N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 157206293) has the molecular formula C33H31Cl2N7O7S and a molecular weight of 740.63 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
• PubChem CID: 157206293
• Molecular Formula: C33H31Cl2N7O7S
• Molecular Weight: 740.63 g/mol
• Exact Mass: 739.14
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)cn1.CC(C)Oc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cn1
• InChI: InChI=1S/C19H18ClN5O4S.C14H13ClN2O3/c1-11(2)29-16-8-5-12(10-23-16)14-7-6-13(17(20)24-14)19(26)25-30(27,28)15-4-3-9-22-18(15)21;1-8(2)20-12-6-3-9(7-16-12)11-5-4-10(14(18)19)13(15)17-11/h3-11H,1-2H3,(H2,21,22)(H,25,26);3-8H,1-2H3,(H,18,19)
• InChIKey: ARJZKYIKBLDJOR-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 209.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	740.63
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid (CID 157206293) is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)cn1.CC(C)Oc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cn1.

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?

The InChIKey is ARJZKYIKBLDJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S.C14H13ClN2O3/c1-11(2)29-16-8-5-12(10-23-16)14-7-6-13(17(20)24-14)19(26)25-30(27,28)15-4-3-9-22-18(15)21;1-8(2)20-12-6-3-9(7-16-12)11-5-4-10(14(18)19)13(15)17-11/h3-11H,1-2H3,(H2,21,22)(H,25,26);3-8H,1-2H3,(H,18,19).

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid has a molecular weight of 740.63 g/mol, XLogP of 5.96, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 157206293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).