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

C22H29N5O3S — CID 121252235

IUPACN-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCCC3)n2)C(C)(C)C1
InChIInChI=1S/C22H29N5O3S/c1-16-14-22(2,3)27(15-16)20-17(8-7-11-23-20)21(28)25-31(29,30)19-10-6-9-18(24-19)26-12-4-5-13-26/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28)
InChIKeyHHAXISAOSDIMFT-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.82
Rot. Bonds5

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

N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121252235) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121252235
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC NameN-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCCC3)n2)C(C)(C)C1
InChIInChI=1S/C22H29N5O3S/c1-16-14-22(2,3)27(15-16)20-17(8-7-11-23-20)21(28)25-31(29,30)19-10-6-9-18(24-19)26-12-4-5-13-26/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28)
InChIKeyHHAXISAOSDIMFT-UHFFFAOYSA-N
XLogP2.82
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253360
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250599
ethyl 1-[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 121250882
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251908
N-[[6-(2-phenylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252873
N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251412
N-[[6-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677
N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
N-[(6-anilino-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252043
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121254179
molecular hydrogen;N-[[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 167613897
N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515771

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121252235) is N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCCC3)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is HHAXISAOSDIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-16-14-22(2,3)27(15-16)20-17(8-7-11-23-20)21(28)25-31(29,30)19-10-6-9-18(24-19)26-12-4-5-13-26/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28).
What are the key properties of N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121252235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).