1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide

C13H19N3O2 — CID 114082238

IUPAC1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
SMILESC[C@@H](O)c1cccnc1N1CCC(C)(C(N)=O)C1
InChIInChI=1S/C13H19N3O2/c1-9(17)10-4-3-6-15-11(10)16-7-5-13(2,8-16)12(14)18/h3-4,6,9,17H,5,7-8H2,1-2H3,(H2,14,18)/t9-,13?/m1/s1
InChIKeyJHMBRKJGPISIAU-CGCSKFHYSA-N
MW249.31 g/mol
LogP0.84
Rot. Bonds3

About 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide

1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 114082238) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID114082238
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
SMILESC[C@@H](O)c1cccnc1N1CCC(C)(C(N)=O)C1
InChIInChI=1S/C13H19N3O2/c1-9(17)10-4-3-6-15-11(10)16-7-5-13(2,8-16)12(14)18/h3-4,6,9,17H,5,7-8H2,1-2H3,(H2,14,18)/t9-,13?/m1/s1
InChIKeyJHMBRKJGPISIAU-CGCSKFHYSA-N
XLogP0.84
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
CID 114056149
5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 114082438
4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 114056090
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperidin-4-ol
CID 171600518
(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 114056098
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763
1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318499
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide (CID 114082238) is 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide is C[C@@H](O)c1cccnc1N1CCC(C)(C(N)=O)C1.
What is the InChIKey of 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is JHMBRKJGPISIAU-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)10-4-3-6-15-11(10)16-7-5-13(2,8-16)12(14)18/h3-4,6,9,17H,5,7-8H2,1-2H3,(H2,14,18)/t9-,13?/m1/s1.
What are the key properties of 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide?
1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114082238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).