(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol

C14H23N3O — CID 99629566

IUPAC(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
SMILESC[C@@H](O)CN(C)Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H23N3O/c1-12(18)10-16(2)11-13-5-6-14(15-9-13)17-7-3-4-8-17/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyCYWJKBBZNNWCEE-GFCCVEGCSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds5

About (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol

(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol (PubChem CID 99629566) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
PubChem CID99629566
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
SMILESC[C@@H](O)CN(C)Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H23N3O/c1-12(18)10-16(2)11-13-5-6-14(15-9-13)17-7-3-4-8-17/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyCYWJKBBZNNWCEE-GFCCVEGCSA-N
XLogP1.49
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111049216
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine
CID 83483400
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125338
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol (CID 99629566) is (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol is C[C@@H](O)CN(C)Cc1ccc(N2CCCC2)nc1.
What is the InChIKey of (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol?
The InChIKey is CYWJKBBZNNWCEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(18)10-16(2)11-13-5-6-14(15-9-13)17-7-3-4-8-17/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol?
(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 99629566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).