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

C69H93N15O12S3 — CID 158905204

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/3C23H31N5O4S/c3*1-15-13-23(2,3)28(14-15)21-16(10-11-17(25-21)18-7-4-5-12-32-18)22(29)27-33(30,31)20-9-6-8-19(24)26-20/h3*6,8-11,15,18H,4-5,7,12-14H2,1-3H3,(H2,24,26)(H,27,29)/t3*15-,18?/m000/s1
InChIKeyJFYOGCLEAZTYKA-FUNDIWKISA-N
MW1420.80 g/mol
LogP9.13
Rot. Bonds15

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 158905204) has the molecular formula C69H93N15O12S3 and a molecular weight of 1420.80 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID158905204
Molecular FormulaC69H93N15O12S3
Molecular Weight1420.80 g/mol
Exact Mass1419.63
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/3C23H31N5O4S/c3*1-15-13-23(2,3)28(14-15)21-16(10-11-17(25-21)18-7-4-5-12-32-18)22(29)27-33(30,31)20-9-6-8-19(24)26-20/h3*6,8-11,15,18H,4-5,7,12-14H2,1-3H3,(H2,24,26)(H,27,29)/t3*15-,18?/m000/s1
InChIKeyJFYOGCLEAZTYKA-FUNDIWKISA-N
XLogP9.13
TPSA382.53 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001420.80
LogP ≤ 59.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide
CID 130203242
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-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-amino-2-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 130203285
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-[2-[2-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]-2-pyridinyl]-2-methylpropyl]oxan-4-yl]-2,2-dimethylpyrrolidin-1-yl]-6-tert-butylpyridine-3-carboxamide
CID 135197163
N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 140709432
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide
CID 157073245
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylmorpholin-4-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-methylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 157173912
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-methoxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[ethyl(2-methoxyethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 157492752

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 158905204) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-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-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JFYOGCLEAZTYKA-FUNDIWKISA-N. The full InChI is InChI=1S/3C23H31N5O4S/c3*1-15-13-23(2,3)28(14-15)21-16(10-11-17(25-21)18-7-4-5-12-32-18)22(29)27-33(30,31)20-9-6-8-19(24)26-20/h3*6,8-11,15,18H,4-5,7,12-14H2,1-3H3,(H2,24,26)(H,27,29)/t3*15-,18?/m000/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 1420.80 g/mol, XLogP of 9.13, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158905204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).