4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine

C77H107N13O5S — CID 158285567

IUPAC4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine
SMILESCC(C)CC1CCN(S(C)(=O)=O)CC1.CC(C)Cc1cccc(=O)[nH]1.CC(C)Cc1ccccn1.CC(C)Cc1cnccn1.CC(C)Nc1ncccc1-c1ccccn1.CC(C)Nc1ncccc1OCc1ccccc1.CC(C)Nc1ncccc1Oc1ccccn1
InChIInChI=1S/C15H18N2O.C13H15N3O.C13H15N3.C10H21NO2S.C9H13NO.C9H13N.C8H12N2/c1-12(2)17-15-14(9-6-10-16-15)18-11-13-7-4-3-5-8-13;1-10(2)16-13-11(6-5-9-15-13)17-12-7-3-4-8-14-12;1-10(2)16-13-11(6-5-9-15-13)12-7-3-4-8-14-12;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-7(2)6-8-4-3-5-9(11)10-8;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8/h3-10,12H,11H2,1-2H3,(H,16,17);3-10H,1-2H3,(H,15,16);3-10H,1-2H3,(H,15,16);9-10H,4-8H2,1-3H3;3-5,7H,6H2,1-2H3,(H,10,11);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyGKSWADRAGSVIEF-UHFFFAOYSA-N
MW1326.86 g/mol
LogP16.77
Rot. Bonds21

About 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine

4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine (PubChem CID 158285567) has the molecular formula C77H107N13O5S and a molecular weight of 1326.86 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine
PubChem CID158285567
Molecular FormulaC77H107N13O5S
Molecular Weight1326.86 g/mol
Exact Mass1325.82
IUPAC Name4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine
SMILESCC(C)CC1CCN(S(C)(=O)=O)CC1.CC(C)Cc1cccc(=O)[nH]1.CC(C)Cc1ccccn1.CC(C)Cc1cnccn1.CC(C)Nc1ncccc1-c1ccccn1.CC(C)Nc1ncccc1OCc1ccccc1.CC(C)Nc1ncccc1Oc1ccccn1
InChIInChI=1S/C15H18N2O.C13H15N3O.C13H15N3.C10H21NO2S.C9H13NO.C9H13N.C8H12N2/c1-12(2)17-15-14(9-6-10-16-15)18-11-13-7-4-3-5-8-13;1-10(2)16-13-11(6-5-9-15-13)17-12-7-3-4-8-14-12;1-10(2)16-13-11(6-5-9-15-13)12-7-3-4-8-14-12;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-7(2)6-8-4-3-5-9(11)10-8;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8/h3-10,12H,11H2,1-2H3,(H,16,17);3-10H,1-2H3,(H,15,16);3-10H,1-2H3,(H,15,16);9-10H,4-8H2,1-3H3;3-5,7H,6H2,1-2H3,(H,10,11);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyGKSWADRAGSVIEF-UHFFFAOYSA-N
XLogP16.77
TPSA227.91 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.86
LogP ≤ 516.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine with MolForge

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Related Compounds

2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
CID 167613413
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967
2-(2-phenylmethoxyphenoxy)pyridine
CID 19835584
5-[1-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175378779
3-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]-2-pyridin-3-ylinden-1-one
CID 172860235
1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine
CID 102538666
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
(3R,6R)-6-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-3-(2-methylpropyl)-4-[(3-pyridin-2-yloxyphenyl)methyl]piperazin-2-one
CID 143250073
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577294
bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
CID 159695001

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine (CID 158285567) is 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine is CC(C)CC1CCN(S(C)(=O)=O)CC1.CC(C)Cc1cccc(=O)[nH]1.CC(C)Cc1ccccn1.CC(C)Cc1cnccn1.CC(C)Nc1ncccc1-c1ccccn1.CC(C)Nc1ncccc1OCc1ccccc1.CC(C)Nc1ncccc1Oc1ccccn1.
What is the InChIKey of 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine?
The InChIKey is GKSWADRAGSVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C13H15N3O.C13H15N3.C10H21NO2S.C9H13NO.C9H13N.C8H12N2/c1-12(2)17-15-14(9-6-10-16-15)18-11-13-7-4-3-5-8-13;1-10(2)16-13-11(6-5-9-15-13)17-12-7-3-4-8-14-12;1-10(2)16-13-11(6-5-9-15-13)12-7-3-4-8-14-12;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-7(2)6-8-4-3-5-9(11)10-8;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8/h3-10,12H,11H2,1-2H3,(H,16,17);3-10H,1-2H3,(H,15,16);3-10H,1-2H3,(H,15,16);9-10H,4-8H2,1-3H3;3-5,7H,6H2,1-2H3,(H,10,11);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine?
4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine has a molecular weight of 1326.86 g/mol, XLogP of 16.77, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-methylsulfonylpiperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;6-(2-methylpropyl)-1H-pyridin-2-one;3-phenylmethoxy-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-3-pyridin-2-yloxypyridin-2-amine;N-propan-2-yl-3-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 158285567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).