N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C29H35N5O3S — CID 121251412

IUPACN-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(Cc4ccccc4)C3)n2)C(C)(C)C1
InChIInChI=1S/C29H35N5O3S/c1-21-18-29(2,3)34(19-21)27-24(11-8-15-30-27)28(35)32-38(36,37)26-13-7-12-25(31-26)33-16-14-23(20-33)17-22-9-5-4-6-10-22/h4-13,15,21,23H,14,16-20H2,1-3H3,(H,32,35)
InChIKeyKQFQAACURWSBBE-UHFFFAOYSA-N
MW533.70 g/mol
LogP4.29
Rot. Bonds7

About N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251412) has the molecular formula C29H35N5O3S and a molecular weight of 533.70 g/mol. Its IUPAC name is N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121251412
Molecular FormulaC29H35N5O3S
Molecular Weight533.70 g/mol
Exact Mass533.25
IUPAC NameN-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(Cc4ccccc4)C3)n2)C(C)(C)C1
InChIInChI=1S/C29H35N5O3S/c1-21-18-29(2,3)34(19-21)27-24(11-8-15-30-27)28(35)32-38(36,37)26-13-7-12-25(31-26)33-16-14-23(20-33)17-22-9-5-4-6-10-22/h4-13,15,21,23H,14,16-20H2,1-3H3,(H,32,35)
InChIKeyKQFQAACURWSBBE-UHFFFAOYSA-N
XLogP4.29
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.70
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251412) is N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(Cc4ccccc4)C3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is KQFQAACURWSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3S/c1-21-18-29(2,3)34(19-21)27-24(11-8-15-30-27)28(35)32-38(36,37)26-13-7-12-25(31-26)33-16-14-23(20-33)17-22-9-5-4-6-10-22/h4-13,15,21,23H,14,16-20H2,1-3H3,(H,32,35).
What are the key properties of N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 533.70 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).