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

C23H25FN6O3S — CID 121253626

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1
InChIInChI=1S/C23H25FN6O3S/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31)/t14-/m0/s1
InChIKeyAQKVUORPZGTPTE-AWEZNQCLSA-N
MW484.56 g/mol
LogP3.00
Rot. Bonds5

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121253626) has the molecular formula C23H25FN6O3S and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121253626
Molecular FormulaC23H25FN6O3S
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1
InChIInChI=1S/C23H25FN6O3S/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31)/t14-/m0/s1
InChIKeyAQKVUORPZGTPTE-AWEZNQCLSA-N
XLogP3.00
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121253626) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is AQKVUORPZGTPTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31)/t14-/m0/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121253626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).