N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide

C23H29N5O3S — CID 158657532

About N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide

N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide (PubChem CID 158657532) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide
• PubChem CID: 158657532
• Molecular Formula: C23H29N5O3S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.20
• IUPAC Name: N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide
• SMILES: CC(C)Nc1cccnc1N1CCN(C(=O)C2=Cc3cc(NS(C)(=O)=O)ccc3C2)CC1
• InChI: InChI=1S/C23H29N5O3S/c1-16(2)25-21-5-4-8-24-22(21)27-9-11-28(12-10-27)23(29)19-13-17-6-7-20(15-18(17)14-19)26-32(3,30)31/h4-8,14-16,25-26H,9-13H2,1-3H3
• InChIKey: ICIDZLFWOYNPQY-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide?

The IUPAC name of N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide (CID 158657532) is N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide?

The canonical SMILES for N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide is CC(C)Nc1cccnc1N1CCN(C(=O)C2=Cc3cc(NS(C)(=O)=O)ccc3C2)CC1.

What is the InChIKey of N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide?

The InChIKey is ICIDZLFWOYNPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-16(2)25-21-5-4-8-24-22(21)27-9-11-28(12-10-27)23(29)19-13-17-6-7-20(15-18(17)14-19)26-32(3,30)31/h4-8,14-16,25-26H,9-13H2,1-3H3.

What are the key properties of N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide?

N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-inden-5-yl]methanesulfonamide is sourced from PubChem (CID 158657532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).