N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C33H43N5O3S — CID 121253563

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253563) has the molecular formula C33H43N5O3S and a molecular weight of 589.81 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121253563
• Molecular Formula: C33H43N5O3S
• Molecular Weight: 589.81 g/mol
• Exact Mass: 589.31
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: Cc1cc2c(cc1-c1cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C33H43N5O3S/c1-20-17-33(7,8)38(19-20)29-24(30(39)37-42(40,41)28-11-9-10-27(34)36-28)15-22(18-35-29)23-16-26-25(14-21(23)2)31(3,4)12-13-32(26,5)6/h9-11,14-16,18,20H,12-13,17,19H2,1-8H3,(H2,34,36)(H,37,39)
• InChIKey: DAADEOJSQSFNSS-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.81
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253563) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc2c(cc1-c1cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c1)C(C)(C)CCC2(C)C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is DAADEOJSQSFNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O3S/c1-20-17-33(7,8)38(19-20)29-24(30(39)37-42(40,41)28-11-9-10-27(34)36-28)15-22(18-35-29)23-16-26-25(14-21(23)2)31(3,4)12-13-32(26,5)6/h9-11,14-16,18,20H,12-13,17,19H2,1-8H3,(H2,34,36)(H,37,39).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 589.81 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).