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

C26H31N5O4S — CID 121251710

IUPACN-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1N(C)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1
InChIInChI=1S/C26H31N5O4S/c1-18-16-26(2,3)31(17-18)24-19(10-9-15-27-24)25(32)29-36(33,34)23-14-8-13-22(28-23)30(4)20-11-6-7-12-21(20)35-5/h6-15,18H,16-17H2,1-5H3,(H,29,32)
InChIKeyCPJUIXPXYKCRLI-UHFFFAOYSA-N
MW509.63 g/mol
LogP4.00
Rot. Bonds7

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

N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251710) has the molecular formula C26H31N5O4S and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121251710
Molecular FormulaC26H31N5O4S
Molecular Weight509.63 g/mol
Exact Mass509.21
IUPAC NameN-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1N(C)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1
InChIInChI=1S/C26H31N5O4S/c1-18-16-26(2,3)31(17-18)24-19(10-9-15-27-24)25(32)29-36(33,34)23-14-8-13-22(28-23)30(4)20-11-6-7-12-21(20)35-5/h6-15,18H,16-17H2,1-5H3,(H,29,32)
InChIKeyCPJUIXPXYKCRLI-UHFFFAOYSA-N
XLogP4.00
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251710) is N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccccc1N(C)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.
What is the InChIKey of N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is CPJUIXPXYKCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4S/c1-18-16-26(2,3)31(17-18)24-19(10-9-15-27-24)25(32)29-36(33,34)23-14-8-13-22(28-23)30(4)20-11-6-7-12-21(20)35-5/h6-15,18H,16-17H2,1-5H3,(H,29,32).
What are the key properties of N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 509.63 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).