N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H33N5O3S — CID 121253061

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CC4CCC3C4)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C25H33N5O3S/c1-15-13-25(2,3)30(14-15)23-18(9-10-20(27-23)19-12-16-7-8-17(19)11-16)24(31)29-34(32,33)22-6-4-5-21(26)28-22/h4-6,9-10,15-17,19H,7-8,11-14H2,1-3H3,(H2,26,28)(H,29,31)/t15-,16?,17?,19?/m0/s1
InChIKeyAYAXPLTVZVQBPX-KZIPQDEESA-N
MW483.64 g/mol
LogP3.71
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121253061) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121253061
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CC4CCC3C4)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C25H33N5O3S/c1-15-13-25(2,3)30(14-15)23-18(9-10-20(27-23)19-12-16-7-8-17(19)11-16)24(31)29-34(32,33)22-6-4-5-21(26)28-22/h4-6,9-10,15-17,19H,7-8,11-14H2,1-3H3,(H2,26,28)(H,29,31)/t15-,16?,17?,19?/m0/s1
InChIKeyAYAXPLTVZVQBPX-KZIPQDEESA-N
XLogP3.71
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-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]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121253061) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3CC4CCC3C4)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is AYAXPLTVZVQBPX-KZIPQDEESA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-15-13-25(2,3)30(14-15)23-18(9-10-20(27-23)19-12-16-7-8-17(19)11-16)24(31)29-34(32,33)22-6-4-5-21(26)28-22/h4-6,9-10,15-17,19H,7-8,11-14H2,1-3H3,(H2,26,28)(H,29,31)/t15-,16?,17?,19?/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 483.64 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121253061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).