N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C22H29N5O4S — CID 140882812

IUPACN-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3=CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccn2N)C(C)(C)C1
InChIInChI=1S/C22H29N5O4S/c1-15-13-22(2,3)26(14-15)20-16(9-10-17(24-20)18-7-4-5-12-31-18)21(28)25-32(29,30)19-8-6-11-27(19)23/h6-11,15H,4-5,12-14,23H2,1-3H3,(H,25,28)/t15-/m0/s1
InChIKeyKEUBIVGJGVDHCN-HNNXBMFYSA-N
MW459.57 g/mol
LogP2.49
Rot. Bonds5

About N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 140882812) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID140882812
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC NameN-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3=CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccn2N)C(C)(C)C1
InChIInChI=1S/C22H29N5O4S/c1-15-13-22(2,3)26(14-15)20-16(9-10-17(24-20)18-7-4-5-12-31-18)21(28)25-32(29,30)19-8-6-11-27(19)23/h6-11,15H,4-5,12-14,23H2,1-3H3,(H,25,28)/t15-/m0/s1
InChIKeyKEUBIVGJGVDHCN-HNNXBMFYSA-N
XLogP2.49
TPSA119.55 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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134393584
N-(benzenesulfonyl)-6-[3-[(1-methylcyclopropyl)oxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134393567
Preparation of (14S)-8-(3,4-dihydro-2H-pyran-6-yl)-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139400131
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide
CID 130203190
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-3-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 139368287
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250465
N-[[6-(2-phenoxyethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250890
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251570
N-(benzenesulfonyl)-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251932
N-[[6-(2-methyl-2-pyrrol-1-ylpropoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252292
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252682
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121260786

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 140882812) is N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3=CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccn2N)C(C)(C)C1.
What is the InChIKey of N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is KEUBIVGJGVDHCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-15-13-22(2,3)26(14-15)20-16(9-10-17(24-20)18-7-4-5-12-31-18)21(28)25-32(29,30)19-8-6-11-27(19)23/h6-11,15H,4-5,12-14,23H2,1-3H3,(H,25,28)/t15-/m0/s1.
What are the key properties of N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopyrrol-2-yl)sulfonyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140882812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).