N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H28N4O4S — CID 121252527

IUPACN-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1
InChIInChI=1S/C25H28N4O4S/c1-17-15-25(2,3)29(16-17)23-19(24(30)28-34(31,32)18-9-6-5-7-10-18)13-14-21(27-23)20-11-8-12-22(26-20)33-4/h5-14,17H,15-16H2,1-4H3,(H,28,30)/t17-/m0/s1
InChIKeyNUYLFMQOBNWCKK-KRWDZBQOSA-N
MW480.59 g/mol
LogP3.90
Rot. Bonds6

About N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121252527) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121252527
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1
InChIInChI=1S/C25H28N4O4S/c1-17-15-25(2,3)29(16-17)23-19(24(30)28-34(31,32)18-9-6-5-7-10-18)13-14-21(27-23)20-11-8-12-22(26-20)33-4/h5-14,17H,15-16H2,1-4H3,(H,28,30)/t17-/m0/s1
InChIKeyNUYLFMQOBNWCKK-KRWDZBQOSA-N
XLogP3.90
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121252527) is N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1.
What is the InChIKey of N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is NUYLFMQOBNWCKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-17-15-25(2,3)29(16-17)23-19(24(30)28-34(31,32)18-9-6-5-7-10-18)13-14-21(27-23)20-11-8-12-22(26-20)33-4/h5-14,17H,15-16H2,1-4H3,(H,28,30)/t17-/m0/s1.
What are the key properties of N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121252527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).