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

C25H28FN5O4S — CID 121250458

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1
InChIInChI=1S/C25H28FN5O4S/c1-15-13-25(2,3)31(14-15)23-16(24(32)30-36(33,34)20-9-6-12-28-22(20)27)10-11-18(29-23)21-17(26)7-5-8-19(21)35-4/h5-12,15H,13-14H2,1-4H3,(H2,27,28)(H,30,32)/t15-/m0/s1
InChIKeyUXACUMDTMPIJTQ-HNNXBMFYSA-N
MW513.60 g/mol
LogP3.62
Rot. Bonds6

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121250458) has the molecular formula C25H28FN5O4S and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121250458
Molecular FormulaC25H28FN5O4S
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1
InChIInChI=1S/C25H28FN5O4S/c1-15-13-25(2,3)31(14-15)23-16(24(32)30-36(33,34)20-9-6-12-28-22(20)27)10-11-18(29-23)21-17(26)7-5-8-19(21)35-4/h5-12,15H,13-14H2,1-4H3,(H2,27,28)(H,30,32)/t15-/m0/s1
InChIKeyUXACUMDTMPIJTQ-HNNXBMFYSA-N
XLogP3.62
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Olacaftor
CID 121250885
2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 15999732
(R)-2-(3-(Aminomethyl)pyrrolidin-1-yl)-6'-methyl-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195303
(S)-2-(3-(Aminomethyl)pyrrolidin-1-yl)-6'-methyl-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195306
(18S)-4-[3-fluoro-5-(2-methylpropoxy)phenyl]-20,20-dimethyl-10,10-dioxo-10lambda6-thia-1,3,9,14,22-pentazatetracyclo[16.2.1.111,14.02,7]docosa-2(7),3,5,11(22),12-pentaen-8-one
CID 139399897
Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-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 139399907
US11377438, Example 90
CID 146525865
US10626112, Example 125
CID 122686103
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-6-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 172436663
CID 134802150
CID 134802150
N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide
CID 46084520
2-[4-(3,5-Difluorobenzenesulfonyl)piperazin-1-YL]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46084550

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121250458) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1cccc(F)c1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UXACUMDTMPIJTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H28FN5O4S/c1-15-13-25(2,3)31(14-15)23-16(24(32)30-36(33,34)20-9-6-12-28-22(20)27)10-11-18(29-23)21-17(26)7-5-8-19(21)35-4/h5-12,15H,13-14H2,1-4H3,(H2,27,28)(H,30,32)/t15-/m0/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121250458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).