5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide

C109H170N18O5S — CID 161413420

IUPAC5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccc(C(C)C)cn2)C1.CC(C)(C)c1ccc(N2CCC(S(C)(=O)=O)C2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CC[C@H](N(C)C)C2)nc1.CC1CCN(c2ccc(C(C)C)cn2)CC1.CC1CCN(c2ccc(C(C)C)cn2)CC1.COC[C@@H]1CCCN1c1ccc(C(C)C)cn1
InChIInChI=1S/C14H21N3O.C14H23N3.C14H22N2O2S.C14H22N2O.2C14H22N2.C13H20N2.C12H18N2O/c1-10(2)12-4-5-14(15-8-12)17-7-6-13(9-17)16-11(3)18;1-11(2)12-5-6-14(15-9-12)17-8-7-13(10-17)16(3)4;1-14(2,3)11-5-6-13(15-9-11)16-8-7-12(10-16)19(4,17)18;1-11(2)12-6-7-14(15-9-12)16-8-4-5-13(16)10-17-3;2*1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,16,18);5-6,9,11,13H,7-8,10H2,1-4H3;5-6,9,12H,7-8,10H2,1-4H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;2*4-5,10-12H,6-9H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3/t2*13-;;13-;;;;/m10.0..../s1
InChIKeyVVTQMAHYTUJEQR-KCJAVRELSA-N
MW1844.75 g/mol
LogP21.21
Rot. Bonds20

About 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide

5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide (PubChem CID 161413420) has the molecular formula C109H170N18O5S and a molecular weight of 1844.75 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide
PubChem CID161413420
Molecular FormulaC109H170N18O5S
Molecular Weight1844.75 g/mol
Exact Mass1843.33
IUPAC Name5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccc(C(C)C)cn2)C1.CC(C)(C)c1ccc(N2CCC(S(C)(=O)=O)C2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CC[C@H](N(C)C)C2)nc1.CC1CCN(c2ccc(C(C)C)cn2)CC1.CC1CCN(c2ccc(C(C)C)cn2)CC1.COC[C@@H]1CCCN1c1ccc(C(C)C)cn1
InChIInChI=1S/C14H21N3O.C14H23N3.C14H22N2O2S.C14H22N2O.2C14H22N2.C13H20N2.C12H18N2O/c1-10(2)12-4-5-14(15-8-12)17-7-6-13(9-17)16-11(3)18;1-11(2)12-5-6-14(15-9-12)17-8-7-13(10-17)16(3)4;1-14(2,3)11-5-6-13(15-9-11)16-8-7-12(10-16)19(4,17)18;1-11(2)12-6-7-14(15-9-12)16-8-4-5-13(16)10-17-3;2*1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,16,18);5-6,9,11,13H,7-8,10H2,1-4H3;5-6,9,12H,7-8,10H2,1-4H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;2*4-5,10-12H,6-9H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3/t2*13-;;13-;;;;/m10.0..../s1
InChIKeyVVTQMAHYTUJEQR-KCJAVRELSA-N
XLogP21.21
TPSA213.98 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.75
LogP ≤ 521.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide (CID 161413420) is 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2ccc(C(C)C)cn2)C1.CC(C)(C)c1ccc(N2CCC(S(C)(=O)=O)C2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CC[C@H](N(C)C)C2)nc1.CC1CCN(c2ccc(C(C)C)cn2)CC1.CC1CCN(c2ccc(C(C)C)cn2)CC1.COC[C@@H]1CCCN1c1ccc(C(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The InChIKey is VVTQMAHYTUJEQR-KCJAVRELSA-N. The full InChI is InChI=1S/C14H21N3O.C14H23N3.C14H22N2O2S.C14H22N2O.2C14H22N2.C13H20N2.C12H18N2O/c1-10(2)12-4-5-14(15-8-12)17-7-6-13(9-17)16-11(3)18;1-11(2)12-5-6-14(15-9-12)17-8-7-13(10-17)16(3)4;1-14(2,3)11-5-6-13(15-9-11)16-8-7-12(10-16)19(4,17)18;1-11(2)12-6-7-14(15-9-12)16-8-4-5-13(16)10-17-3;2*1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,16,18);5-6,9,11,13H,7-8,10H2,1-4H3;5-6,9,12H,7-8,10H2,1-4H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;2*4-5,10-12H,6-9H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3/t2*13-;;13-;;;;/m10.0..../s1.
What are the key properties of 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide?
5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide has a molecular weight of 1844.75 g/mol, XLogP of 21.21, 20 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyridine;(3S)-N,N-dimethyl-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;N-[(3R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 161413420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).