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

C23H31N5O4S — CID 153427511

IUPAC4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(NCC4CCCO4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C23H31N5O4S/c1-15-12-23(2,3)28(14-15)22-20(21(24)29)17(9-10-25-22)33(30,31)19-8-4-7-18(27-19)26-13-16-6-5-11-32-16/h4,7-10,15-16H,5-6,11-14H2,1-3H3,(H2,24,29)(H,26,27)
InChIKeyHSWNDCMIPNFUIX-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.62
Rot. Bonds7

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

4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427511) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427511
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(NCC4CCCO4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C23H31N5O4S/c1-15-12-23(2,3)28(14-15)22-20(21(24)29)17(9-10-25-22)33(30,31)19-8-4-7-18(27-19)26-13-16-6-5-11-32-16/h4,7-10,15-16H,5-6,11-14H2,1-3H3,(H2,24,29)(H,26,27)
InChIKeyHSWNDCMIPNFUIX-UHFFFAOYSA-N
XLogP2.62
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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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-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427244
N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253452
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175791210
2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886716
tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate
CID 121251608
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
N-[[6-[3-(N-methylanilino)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252209
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
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-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427511) is 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(NCC4CCCO4)n3)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is HSWNDCMIPNFUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-15-12-23(2,3)28(14-15)22-20(21(24)29)17(9-10-25-22)33(30,31)19-8-4-7-18(27-19)26-13-16-6-5-11-32-16/h4,7-10,15-16H,5-6,11-14H2,1-3H3,(H2,24,29)(H,26,27).
What are the key properties of 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).