N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C45H50ClN11O8S2 — CID 160977005

About N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 160977005) has the molecular formula C45H50ClN11O8S2 and a molecular weight of 972.55 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 160977005
• Molecular Formula: C45H50ClN11O8S2
• Molecular Weight: 972.55 g/mol
• Exact Mass: 971.30
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)cn1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1
• InChI: InChI=1S/C26H32N6O4S.C19H18ClN5O4S/c1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27;1-11(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/h6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33);3-11H,1-2H3,(H2,21,22)(H,25,26)/t17-;/m0./s1
• InChIKey: SYZRGFVEQGJXNK-LMOVPXPDSA-N
• XLogP: 6.33
• TPSA: 277.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	972.55
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 160977005) is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)cn1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)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;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is SYZRGFVEQGJXNK-LMOVPXPDSA-N. The full InChI is InChI=1S/C26H32N6O4S.C19H18ClN5O4S/c1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27;1-11(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/h6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33);3-11H,1-2H3,(H2,21,22)(H,25,26)/t17-;/m0./s1.

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 972.55 g/mol, XLogP of 6.33, 13 rotatable bonds, 4 hydrogen bond donors, and 17 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;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160977005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).