N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

C27H36N6O4S — CID 167607513

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 167607513) has the molecular formula C27H36N6O4S and a molecular weight of 540.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 167607513
• Molecular Formula: C27H36N6O4S
• Molecular Weight: 540.69 g/mol
• Exact Mass: 540.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C(C)(C)C)C3)n2)cn1.[H][H]
• InChI: InChI=1S/C27H34N6O4S.H2/c1-17(2)37-23-12-9-18(15-29-23)21-11-10-20(25(30-21)33-14-13-19(16-33)27(3,4)5)26(34)32-38(35,36)24-8-6-7-22(28)31-24;/h6-12,15,17,19H,13-14,16H2,1-5H3,(H2,28,31)(H,32,34);1H
• InChIKey: KOUIGTQWHOZYCC-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.69
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (CID 167607513) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C(C)(C)C)C3)n2)cn1.[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is KOUIGTQWHOZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S.H2/c1-17(2)37-23-12-9-18(15-29-23)21-11-10-20(25(30-21)33-14-13-19(16-33)27(3,4)5)26(34)32-38(35,36)24-8-6-7-22(28)31-24;/h6-12,15,17,19H,13-14,16H2,1-5H3,(H2,28,31)(H,32,34);1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 540.69 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167607513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).