N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C28H32F3N5O4S — CID 121251962

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(-c3cc(OC(C)C)cc(C(F)(F)F)c3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C28H32F3N5O4S/c1-16(2)40-21-10-18(9-20(12-21)28(29,30)31)19-11-22(25(33-14-19)36-15-17(3)13-27(36,4)5)26(37)35-41(38,39)24-8-6-7-23(32)34-24/h6-12,14,16-17H,13,15H2,1-5H3,(H2,32,34)(H,35,37)
InChIKeyBHQNANATKUGFBI-UHFFFAOYSA-N
MW591.66 g/mol
LogP5.28
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251962) has the molecular formula C28H32F3N5O4S and a molecular weight of 591.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121251962
Molecular FormulaC28H32F3N5O4S
Molecular Weight591.66 g/mol
Exact Mass591.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(-c3cc(OC(C)C)cc(C(F)(F)F)c3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C28H32F3N5O4S/c1-16(2)40-21-10-18(9-20(12-21)28(29,30)31)19-11-22(25(33-14-19)36-15-17(3)13-27(36,4)5)26(37)35-41(38,39)24-8-6-7-23(32)34-24/h6-12,14,16-17H,13,15H2,1-5H3,(H2,32,34)(H,35,37)
InChIKeyBHQNANATKUGFBI-UHFFFAOYSA-N
XLogP5.28
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.66
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251962) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncc(-c3cc(OC(C)C)cc(C(F)(F)F)c3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is BHQNANATKUGFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O4S/c1-16(2)40-21-10-18(9-20(12-21)28(29,30)31)19-11-22(25(33-14-19)36-15-17(3)13-27(36,4)5)26(37)35-41(38,39)24-8-6-7-23(32)34-24/h6-12,14,16-17H,13,15H2,1-5H3,(H2,32,34)(H,35,37).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 591.66 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).