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

C24H27N5O4S — CID 175515735

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3ccccc3O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C24H27N5O4S/c1-15-13-14-29(24(15,2)3)22-17(11-12-18(26-22)16-7-4-5-8-19(16)30)23(31)28-34(32,33)21-10-6-9-20(25)27-21/h4-12,15,30H,13-14H2,1-3H3,(H2,25,27)(H,28,31)
InChIKeyQLMKUBRKBWHTBT-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.17
Rot. Bonds5

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515735) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515735
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3ccccc3O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C24H27N5O4S/c1-15-13-14-29(24(15,2)3)22-17(11-12-18(26-22)16-7-4-5-8-19(16)30)23(31)28-34(32,33)21-10-6-9-20(25)27-21/h4-12,15,30H,13-14H2,1-3H3,(H2,25,27)(H,28,31)
InChIKeyQLMKUBRKBWHTBT-UHFFFAOYSA-N
XLogP3.17
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515735) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(-c3ccccc3O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is QLMKUBRKBWHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-15-13-14-29(24(15,2)3)22-17(11-12-18(26-22)16-7-4-5-8-19(16)30)23(31)28-34(32,33)21-10-6-9-20(25)27-21/h4-12,15,30H,13-14H2,1-3H3,(H2,25,27)(H,28,31).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).