N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C34H35FN6OS2 — CID 59200340

About N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 59200340) has the molecular formula C34H35FN6OS2 and a molecular weight of 626.83 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• PubChem CID: 59200340
• Molecular Formula: C34H35FN6OS2
• Molecular Weight: 626.83 g/mol
• Exact Mass: 626.23
• IUPAC Name: N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• SMILES: CC(C)(C)CNCC(CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C34H35FN6OS2/c1-33(2,3)21-36-22-34(24-12-6-4-7-13-24,25-14-8-5-9-15-25)23-40-31(42)30-29(35)26(17-19-38-30)43-28-20-39-32(44-28)41-27-16-10-11-18-37-27/h4-20,36H,21-23H2,1-3H3,(H,40,42)(H,37,39,41)
• InChIKey: NYMNYSBCLARHRR-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 91.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.83
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 59200340) is N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is CC(C)(C)CNCC(CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The InChIKey is NYMNYSBCLARHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN6OS2/c1-33(2,3)21-36-22-34(24-12-6-4-7-13-24,25-14-8-5-9-15-25)23-40-31(42)30-29(35)26(17-19-38-30)43-28-20-39-32(44-28)41-27-16-10-11-18-37-27/h4-20,36H,21-23H2,1-3H3,(H,40,42)(H,37,39,41).

What are the key properties of N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 626.83 g/mol, XLogP of 7.32, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]-3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 59200340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).