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

C24H28N6O4S — CID 121251372

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ncccc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1
InChIInChI=1S/C24H28N6O4S/c1-15-13-24(2,3)30(14-15)21-17(9-10-18(28-21)16-7-5-12-27-23(16)34-4)22(31)29-35(32,33)19-8-6-11-26-20(19)25/h5-12,15H,13-14H2,1-4H3,(H2,25,26)(H,29,31)/t15-/m0/s1
InChIKeyVPXCUTHPUOYENQ-HNNXBMFYSA-N
MW496.59 g/mol
LogP2.87
Rot. Bonds6

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251372) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251372
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ncccc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1
InChIInChI=1S/C24H28N6O4S/c1-15-13-24(2,3)30(14-15)21-17(9-10-18(28-21)16-7-5-12-27-23(16)34-4)22(31)29-35(32,33)19-8-6-11-26-20(19)25/h5-12,15H,13-14H2,1-4H3,(H2,25,26)(H,29,31)/t15-/m0/s1
InChIKeyVPXCUTHPUOYENQ-HNNXBMFYSA-N
XLogP2.87
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251372) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1ncccc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is VPXCUTHPUOYENQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-15-13-24(2,3)30(14-15)21-17(9-10-18(28-21)16-7-5-12-27-23(16)34-4)22(31)29-35(32,33)19-8-6-11-26-20(19)25/h5-12,15H,13-14H2,1-4H3,(H2,25,26)(H,29,31)/t15-/m0/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).