4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide

C12H17N3O2 — CID 62917818

IUPAC4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(O)C2)ccn1
InChIInChI=1S/C12H17N3O2/c1-14(2)12(17)11-7-9(3-5-13-11)15-6-4-10(16)8-15/h3,5,7,10,16H,4,6,8H2,1-2H3
InChIKeyXAHUQTZTHXLJEN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.35
Rot. Bonds2

About 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide

4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 62917818) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID62917818
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(O)C2)ccn1
InChIInChI=1S/C12H17N3O2/c1-14(2)12(17)11-7-9(3-5-13-11)15-6-4-10(16)8-15/h3,5,7,10,16H,4,6,8H2,1-2H3
InChIKeyXAHUQTZTHXLJEN-UHFFFAOYSA-N
XLogP0.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136528477
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 63344096
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1R,2S)-2-methyl-2-phenylcyclopropyl]pyridine-2-carboxamide
CID 162682717
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 136524869

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide (CID 62917818) is 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(N2CCC(O)C2)ccn1.
What is the InChIKey of 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is XAHUQTZTHXLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14(2)12(17)11-7-9(3-5-13-11)15-6-4-10(16)8-15/h3,5,7,10,16H,4,6,8H2,1-2H3.
What are the key properties of 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide?
4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 62917818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).