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

C23H31N5O3S — CID 153427325

IUPAC4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2cccc(S(=O)(=O)c3ccnc(N4CC(C)CC4(C)C)c3C(N)=O)n2)C1
InChIInChI=1S/C23H31N5O3S/c1-15-9-11-27(13-15)18-6-5-7-19(26-18)32(30,31)17-8-10-25-22(20(17)21(24)29)28-14-16(2)12-23(28,3)4/h5-8,10,15-16H,9,11-14H2,1-4H3,(H2,24,29)
InChIKeyMIWBCVSJDMRFFW-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.88
Rot. Bonds5

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

4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427325) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427325
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2cccc(S(=O)(=O)c3ccnc(N4CC(C)CC4(C)C)c3C(N)=O)n2)C1
InChIInChI=1S/C23H31N5O3S/c1-15-9-11-27(13-15)18-6-5-7-19(26-18)32(30,31)17-8-10-25-22(20(17)21(24)29)28-14-16(2)12-23(28,3)4/h5-8,10,15-16H,9,11-14H2,1-4H3,(H2,24,29)
InChIKeyMIWBCVSJDMRFFW-UHFFFAOYSA-N
XLogP2.88
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427310
4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427479
4-[[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 153427608
4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427314
4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427244
4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427465
4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427511
4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427356
4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427570
4-[[6-(4-ethoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427196
4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427217
4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 139451031

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427325) is 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2cccc(S(=O)(=O)c3ccnc(N4CC(C)CC4(C)C)c3C(N)=O)n2)C1.
What is the InChIKey of 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is MIWBCVSJDMRFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-15-9-11-27(13-15)18-6-5-7-19(26-18)32(30,31)17-8-10-25-22(20(17)21(24)29)28-14-16(2)12-23(28,3)4/h5-8,10,15-16H,9,11-14H2,1-4H3,(H2,24,29).
What are the key properties of 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).