2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

C14H21N3O2 — CID 72922837

IUPAC2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2C[C@@H](C)[C@@](C)(O)C2)nc1C
InChIInChI=1S/C14H21N3O2/c1-8-5-11(12(15)18)13(16-10(8)3)17-6-9(2)14(4,19)7-17/h5,9,19H,6-7H2,1-4H3,(H2,15,18)/t9-,14+/m1/s1
InChIKeyVUNMCHSPBRKILP-OTYXRUKQSA-N
MW263.34 g/mol
LogP1.00
Rot. Bonds2

About 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 72922837) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID72922837
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2C[C@@H](C)[C@@](C)(O)C2)nc1C
InChIInChI=1S/C14H21N3O2/c1-8-5-11(12(15)18)13(16-10(8)3)17-6-9(2)14(4,19)7-17/h5,9,19H,6-7H2,1-4H3,(H2,15,18)/t9-,14+/m1/s1
InChIKeyVUNMCHSPBRKILP-OTYXRUKQSA-N
XLogP1.00
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide (CID 72922837) is 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2C[C@@H](C)[C@@](C)(O)C2)nc1C.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is VUNMCHSPBRKILP-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-5-11(12(15)18)13(16-10(8)3)17-6-9(2)14(4,19)7-17/h5,9,19H,6-7H2,1-4H3,(H2,15,18)/t9-,14+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 72922837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).