N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H30N6O4S — CID 175514656

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cn1
InChIInChI=1S/C25H30N6O4S/c1-5-35-21-10-9-17(14-27-21)18-13-19(23(28-15-18)31-12-11-16(2)25(31,3)4)24(32)30-36(33,34)22-8-6-7-20(26)29-22/h6-10,13-16H,5,11-12H2,1-4H3,(H2,26,29)(H,30,32)
InChIKeyQVYMMPMKFWYRNU-UHFFFAOYSA-N
MW510.62 g/mol
LogP3.26
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514656) has the molecular formula C25H30N6O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514656
Molecular FormulaC25H30N6O4S
Molecular Weight510.62 g/mol
Exact Mass510.20
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cn1
InChIInChI=1S/C25H30N6O4S/c1-5-35-21-10-9-17(14-27-21)18-13-19(23(28-15-18)31-12-11-16(2)25(31,3)4)24(32)30-36(33,34)22-8-6-7-20(26)29-22/h6-10,13-16H,5,11-12H2,1-4H3,(H2,26,29)(H,30,32)
InChIKeyQVYMMPMKFWYRNU-UHFFFAOYSA-N
XLogP3.26
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514656) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCOc1ccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is QVYMMPMKFWYRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4S/c1-5-35-21-10-9-17(14-27-21)18-13-19(23(28-15-18)31-12-11-16(2)25(31,3)4)24(32)30-36(33,34)22-8-6-7-20(26)29-22/h6-10,13-16H,5,11-12H2,1-4H3,(H2,26,29)(H,30,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).