2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine

C153H228N24O7 — CID 158420233

IUPAC2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1ccc(N2CCC(O)C2)cn1.CC(C)c1ccc(N2CC[C@H](O)C2)cn1.CC(C)c1cccc(C2CN(C)C2)n1.CC(C)c1cccc(C2CNC2)n1.CC(C)c1cccc(N2CC(O)C2)n1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1
InChIInChI=1S/3C16H25N3.2C12H18N2O.C12H18N2.3C12H17NO.2C11H16N2O.C11H16N2/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;2*1-9(2)12-4-3-10(7-13-12)14-6-5-11(15)8-14;1-9(2)11-5-4-6-12(13-11)10-7-14(3)8-10;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13;1-8(2)10-4-3-5-11(12-10)13-6-9(14)7-13;1-8(2)10-4-3-5-11(13-10)9-6-12-7-9/h3*5-7,13-14H,3-4,8-12H2,1-2H3;2*3-4,7,9,11,15H,5-6,8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3;3-5,8-9,14H,6-7H2,1-2H3;3-5,8-9,12H,6-7H2,1-2H3/t2*14-;;11-;;;;;;;;/m10.0......../s1
InChIKeyHAKAGGYIHGTQNS-IZFOUGGKSA-N
MW2515.67 g/mol
LogP27.21
Rot. Bonds27

About 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine

2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine (PubChem CID 158420233) has the molecular formula C153H228N24O7 and a molecular weight of 2515.67 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
PubChem CID158420233
Molecular FormulaC153H228N24O7
Molecular Weight2515.67 g/mol
Exact Mass2513.82
IUPAC Name2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1ccc(N2CCC(O)C2)cn1.CC(C)c1ccc(N2CC[C@H](O)C2)cn1.CC(C)c1cccc(C2CN(C)C2)n1.CC(C)c1cccc(C2CNC2)n1.CC(C)c1cccc(N2CC(O)C2)n1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1
InChIInChI=1S/3C16H25N3.2C12H18N2O.C12H18N2.3C12H17NO.2C11H16N2O.C11H16N2/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;2*1-9(2)12-4-3-10(7-13-12)14-6-5-11(15)8-14;1-9(2)11-5-4-6-12(13-11)10-7-14(3)8-10;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13;1-8(2)10-4-3-5-11(12-10)13-6-9(14)7-13;1-8(2)10-4-3-5-11(13-10)9-6-12-7-9/h3*5-7,13-14H,3-4,8-12H2,1-2H3;2*3-4,7,9,11,15H,5-6,8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3;3-5,8-9,14H,6-7H2,1-2H3;3-5,8-9,12H,6-7H2,1-2H3/t2*14-;;11-;;;;;;;;/m10.0......../s1
InChIKeyHAKAGGYIHGTQNS-IZFOUGGKSA-N
XLogP27.21
TPSA310.96 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002515.67
LogP ≤ 527.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
The IUPAC name of 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine (CID 158420233) is 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine is CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1ccc(N2CCC(O)C2)cn1.CC(C)c1ccc(N2CC[C@H](O)C2)cn1.CC(C)c1cccc(C2CN(C)C2)n1.CC(C)c1cccc(C2CNC2)n1.CC(C)c1cccc(N2CC(O)C2)n1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
The InChIKey is HAKAGGYIHGTQNS-IZFOUGGKSA-N. The full InChI is InChI=1S/3C16H25N3.2C12H18N2O.C12H18N2.3C12H17NO.2C11H16N2O.C11H16N2/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;2*1-9(2)12-4-3-10(7-13-12)14-6-5-11(15)8-14;1-9(2)11-5-4-6-12(13-11)10-7-14(3)8-10;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13;1-8(2)10-4-3-5-11(12-10)13-6-9(14)7-13;1-8(2)10-4-3-5-11(13-10)9-6-12-7-9/h3*5-7,13-14H,3-4,8-12H2,1-2H3;2*3-4,7,9,11,15H,5-6,8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3;3-5,8-9,14H,6-7H2,1-2H3;3-5,8-9,12H,6-7H2,1-2H3/t2*14-;;11-;;;;;;;;/m10.0......../s1.
What are the key properties of 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine has a molecular weight of 2515.67 g/mol, XLogP of 27.21, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine is sourced from PubChem (CID 158420233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).