2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C12H17N3O2 — CID 113243984

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCC(CCO)C1
InChIInChI=1S/C12H17N3O2/c13-11(17)10-2-1-5-14-12(10)15-6-3-9(8-15)4-7-16/h1-2,5,9,16H,3-4,6-8H2,(H2,13,17)
InChIKeySDMSOOJKYKFRAO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.39
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 113243984) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID113243984
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCC(CCO)C1
InChIInChI=1S/C12H17N3O2/c13-11(17)10-2-1-5-14-12(10)15-6-3-9(8-15)4-7-16/h1-2,5,9,16H,3-4,6-8H2,(H2,13,17)
InChIKeySDMSOOJKYKFRAO-UHFFFAOYSA-N
XLogP0.39
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869833
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869834
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
2-[1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799454
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551
2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95633448

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 113243984) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is SDMSOOJKYKFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11(17)10-2-1-5-14-12(10)15-6-3-9(8-15)4-7-16/h1-2,5,9,16H,3-4,6-8H2,(H2,13,17).
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113243984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).