6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide

C18H22N4O2 — CID 135106188

IUPAC6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1
InChIInChI=1S/C18H22N4O2/c1-21(2)18(24)15-7-5-8-17(20-15)22-11-13(16(23)12-22)10-14-6-3-4-9-19-14/h3-9,13,16,23H,10-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyGVYZUJKSRRRREX-CZUORRHYSA-N
MW326.40 g/mol
LogP1.22
Rot. Bonds4

About 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide

6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 135106188) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID135106188
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1
InChIInChI=1S/C18H22N4O2/c1-21(2)18(24)15-7-5-8-17(20-15)22-11-13(16(23)12-22)10-14-6-3-4-9-19-14/h3-9,13,16,23H,10-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyGVYZUJKSRRRREX-CZUORRHYSA-N
XLogP1.22
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2,6-dimethyl-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 135103697
(3S,4R)-1-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 135099469
(3S,4R)-1-(3-methoxy-2-methyl-4-pyridinyl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 166621288
(3S,4R)-4-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 135114068
6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 126435494
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 134703358
N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95841014
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454
(3,5-dimethoxyphenyl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 134707001
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 134702629
formic acid;methyl 4-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]butanoate
CID 155972625
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134697794

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (CID 135106188) is 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(N2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1.
What is the InChIKey of 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is GVYZUJKSRRRREX-CZUORRHYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)18(24)15-7-5-8-17(20-15)22-11-13(16(23)12-22)10-14-6-3-4-9-19-14/h3-9,13,16,23H,10-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 135106188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).