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

C24H24F3N5O3S — CID 175515003

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3cc(F)c(F)cc3F)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C1(C)C
InChIInChI=1S/C24H24F3N5O3S/c1-13-8-10-32(24(13,2)3)22-14(23(33)31-36(34,35)20-5-4-9-29-21(20)28)6-7-19(30-22)15-11-17(26)18(27)12-16(15)25/h4-7,9,11-13H,8,10H2,1-3H3,(H2,28,29)(H,31,33)
InChIKeyDDUGXRSZUSPEOK-UHFFFAOYSA-N
MW519.55 g/mol
LogP3.89
Rot. Bonds5

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515003) has the molecular formula C24H24F3N5O3S and a molecular weight of 519.55 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515003
Molecular FormulaC24H24F3N5O3S
Molecular Weight519.55 g/mol
Exact Mass519.16
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3cc(F)c(F)cc3F)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C1(C)C
InChIInChI=1S/C24H24F3N5O3S/c1-13-8-10-32(24(13,2)3)22-14(23(33)31-36(34,35)20-5-4-9-29-21(20)28)6-7-19(30-22)15-11-17(26)18(27)12-16(15)25/h4-7,9,11-13H,8,10H2,1-3H3,(H2,28,29)(H,31,33)
InChIKeyDDUGXRSZUSPEOK-UHFFFAOYSA-N
XLogP3.89
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515003) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(-c3cc(F)c(F)cc3F)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C1(C)C.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is DDUGXRSZUSPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3S/c1-13-8-10-32(24(13,2)3)22-14(23(33)31-36(34,35)20-5-4-9-29-21(20)28)6-7-19(30-22)15-11-17(26)18(27)12-16(15)25/h4-7,9,11-13H,8,10H2,1-3H3,(H2,28,29)(H,31,33).
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 519.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).