[(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol

C14H24N4O — CID 50968354

IUPAC[(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
SMILESCNc1ncccc1CN1C[C@H](N(C)C)C[C@H]1CO
InChIInChI=1S/C14H24N4O/c1-15-14-11(5-4-6-16-14)8-18-9-12(17(2)3)7-13(18)10-19/h4-6,12-13,19H,7-10H2,1-3H3,(H,15,16)/t12-,13+/m1/s1
InChIKeyPYJVORLXXUBZLW-OLZOCXBDSA-N
MW264.37 g/mol
LogP0.62
Rot. Bonds5

About [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 50968354) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID50968354
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
SMILESCNc1ncccc1CN1C[C@H](N(C)C)C[C@H]1CO
InChIInChI=1S/C14H24N4O/c1-15-14-11(5-4-6-16-14)8-18-9-12(17(2)3)7-13(18)10-19/h4-6,12-13,19H,7-10H2,1-3H3,(H,15,16)/t12-,13+/m1/s1
InChIKeyPYJVORLXXUBZLW-OLZOCXBDSA-N
XLogP0.62
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol (CID 50968354) is [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol is CNc1ncccc1CN1C[C@H](N(C)C)C[C@H]1CO.
What is the InChIKey of [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PYJVORLXXUBZLW-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4O/c1-15-14-11(5-4-6-16-14)8-18-9-12(17(2)3)7-13(18)10-19/h4-6,12-13,19H,7-10H2,1-3H3,(H,15,16)/t12-,13+/m1/s1.
What are the key properties of [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(dimethylamino)-1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 50968354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).