N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C29H43N5O5S — CID 155084211

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C(C)(C)C)c([C@@H](O)[C@H](O)C3CCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C29H43N5O5S/c1-17-15-29(5,6)34(16-17)26-20(27(37)33-40(38,39)22-13-9-12-21(30)31-22)14-19(25(32-26)28(2,3)4)24(36)23(35)18-10-7-8-11-18/h9,12-14,17-18,23-24,35-36H,7-8,10-11,15-16H2,1-6H3,(H2,30,31)(H,33,37)/t17-,23+,24+/m0/s1
InChIKeyXFAYXRVFIAMXSG-PKKBDPGCSA-N
MW573.76 g/mol
LogP3.68
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 155084211) has the molecular formula C29H43N5O5S and a molecular weight of 573.76 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID155084211
Molecular FormulaC29H43N5O5S
Molecular Weight573.76 g/mol
Exact Mass573.30
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C(C)(C)C)c([C@@H](O)[C@H](O)C3CCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C29H43N5O5S/c1-17-15-29(5,6)34(16-17)26-20(27(37)33-40(38,39)22-13-9-12-21(30)31-22)14-19(25(32-26)28(2,3)4)24(36)23(35)18-10-7-8-11-18/h9,12-14,17-18,23-24,35-36H,7-8,10-11,15-16H2,1-6H3,(H2,30,31)(H,33,37)/t17-,23+,24+/m0/s1
InChIKeyXFAYXRVFIAMXSG-PKKBDPGCSA-N
XLogP3.68
TPSA158.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.76
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 159069232
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(2-methylprop-1-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251108
(E)-3-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-2-tert-butyl-6-(2,2,4-trimethylpyrrolidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 121252406
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251974
N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121253317
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-cyclohexylethoxy)-5-fluoro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
CID 160660401
N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide
CID 121252274
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252470
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250578
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 137054081
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252027
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methoxy-6-methyl-4-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 155023671

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 155084211) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C(C)(C)C)c([C@@H](O)[C@H](O)C3CCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is XFAYXRVFIAMXSG-PKKBDPGCSA-N. The full InChI is InChI=1S/C29H43N5O5S/c1-17-15-29(5,6)34(16-17)26-20(27(37)33-40(38,39)22-13-9-12-21(30)31-22)14-19(25(32-26)28(2,3)4)24(36)23(35)18-10-7-8-11-18/h9,12-14,17-18,23-24,35-36H,7-8,10-11,15-16H2,1-6H3,(H2,30,31)(H,33,37)/t17-,23+,24+/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 573.76 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).