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

C28H34N6O3S — CID 121253360

IUPACN-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCN(c4ccccc4)CC3)n2)C(C)(C)C1
InChIInChI=1S/C28H34N6O3S/c1-21-19-28(2,3)34(20-21)26-23(11-8-14-29-26)27(35)31-38(36,37)25-13-7-12-24(30-25)33-17-15-32(16-18-33)22-9-5-4-6-10-22/h4-14,21H,15-20H2,1-3H3,(H,31,35)
InChIKeyITNGVSHKNAUNFW-UHFFFAOYSA-N
MW534.69 g/mol
LogP3.55
Rot. Bonds6

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

N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253360) has the molecular formula C28H34N6O3S and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253360
Molecular FormulaC28H34N6O3S
Molecular Weight534.69 g/mol
Exact Mass534.24
IUPAC NameN-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCN(c4ccccc4)CC3)n2)C(C)(C)C1
InChIInChI=1S/C28H34N6O3S/c1-21-19-28(2,3)34(20-21)26-23(11-8-14-29-26)27(35)31-38(36,37)25-13-7-12-24(30-25)33-17-15-32(16-18-33)22-9-5-4-6-10-22/h4-14,21H,15-20H2,1-3H3,(H,31,35)
InChIKeyITNGVSHKNAUNFW-UHFFFAOYSA-N
XLogP3.55
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235
N-[[6-(3-benzylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251412
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-(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
N-[[6-(2-phenylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252873
ethyl 1-[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 121250882
N-[(6-anilino-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252043
N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
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
molecular hydrogen;N-[[6-(4-phenylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 158391202
N-[[6-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677
N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251710

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253360) is N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCN(c4ccccc4)CC3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ITNGVSHKNAUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3S/c1-21-19-28(2,3)34(20-21)26-23(11-8-14-29-26)27(35)31-38(36,37)25-13-7-12-24(30-25)33-17-15-32(16-18-33)22-9-5-4-6-10-22/h4-14,21H,15-20H2,1-3H3,(H,31,35).
What are the key properties of N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 534.69 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).