6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C12H17N3O2 — CID 112627849

IUPAC6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(O)C1CCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-4-5-15(7-10)11-3-2-9(6-14-11)12(13)17/h2-3,6,8,10,16H,4-5,7H2,1H3,(H2,13,17)
InChIKeyHMLLFVZJVQNCPU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.39
Rot. Bonds3

About 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 112627849) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID112627849
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(O)C1CCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-4-5-15(7-10)11-3-2-9(6-14-11)12(13)17/h2-3,6,8,10,16H,4-5,7H2,1H3,(H2,13,17)
InChIKeyHMLLFVZJVQNCPU-UHFFFAOYSA-N
XLogP0.39
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81048957
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 143465750
1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626053
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid
CID 90342902

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 112627849) is 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is CC(O)C1CCN(c2ccc(C(N)=O)cn2)C1.
What is the InChIKey of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is HMLLFVZJVQNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)10-4-5-15(7-10)11-3-2-9(6-14-11)12(13)17/h2-3,6,8,10,16H,4-5,7H2,1H3,(H2,13,17).
What are the key properties of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 112627849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).