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

C25H29N5O4S — CID 121253127

IUPACN-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1
InChIInChI=1S/C25H29N5O4S/c1-17-15-25(2,3)30(16-17)23-18(9-8-14-26-23)24(31)29-35(32,33)22-13-7-12-21(28-22)27-19-10-5-6-11-20(19)34-4/h5-14,17H,15-16H2,1-4H3,(H,27,28)(H,29,31)
InChIKeyLZPHOTJCSYWRTM-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.97
Rot. Bonds7

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

N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253127) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253127
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1
InChIInChI=1S/C25H29N5O4S/c1-17-15-25(2,3)30(16-17)23-18(9-8-14-26-23)24(31)29-35(32,33)22-13-7-12-21(28-22)27-19-10-5-6-11-20(19)34-4/h5-14,17H,15-16H2,1-4H3,(H,27,28)(H,29,31)
InChIKeyLZPHOTJCSYWRTM-UHFFFAOYSA-N
XLogP3.97
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253127) is N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccccc1Nc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.
What is the InChIKey of N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is LZPHOTJCSYWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-17-15-25(2,3)30(16-17)23-18(9-8-14-26-23)24(31)29-35(32,33)22-13-7-12-21(28-22)27-19-10-5-6-11-20(19)34-4/h5-14,17H,15-16H2,1-4H3,(H,27,28)(H,29,31).
What are the key properties of N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).