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

C22H29N5O4S — CID 121251601

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CCOC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C22H29N5O4S/c1-14-11-22(2,3)27(12-14)20-16(7-8-17(24-20)15-9-10-31-13-15)21(28)26-32(29,30)19-6-4-5-18(23)25-19/h4-8,14-15H,9-13H2,1-3H3,(H2,23,25)(H,26,28)/t14-,15?/m0/s1
InChIKeyIUZNDSPSAODTNG-MLCCFXAWSA-N
MW459.57 g/mol
LogP2.31
Rot. Bonds5

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251601) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251601
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CCOC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C22H29N5O4S/c1-14-11-22(2,3)27(12-14)20-16(7-8-17(24-20)15-9-10-31-13-15)21(28)26-32(29,30)19-6-4-5-18(23)25-19/h4-8,14-15H,9-13H2,1-3H3,(H2,23,25)(H,26,28)/t14-,15?/m0/s1
InChIKeyIUZNDSPSAODTNG-MLCCFXAWSA-N
XLogP2.31
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251601) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3CCOC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IUZNDSPSAODTNG-MLCCFXAWSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-14-11-22(2,3)27(12-14)20-16(7-8-17(24-20)15-9-10-31-13-15)21(28)26-32(29,30)19-6-4-5-18(23)25-19/h4-8,14-15H,9-13H2,1-3H3,(H2,23,25)(H,26,28)/t14-,15?/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.31, 5 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]-6-(oxolan-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).