2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide

C12H17N3O2 — CID 102786999

IUPAC2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(N)=O)C1CO
InChIInChI=1S/C12H17N3O2/c1-8-4-6-15(10(8)7-16)12-9(11(13)17)3-2-5-14-12/h2-3,5,8,10,16H,4,6-7H2,1H3,(H2,13,17)
InChIKeyURYBQPAKHNBGKB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.39
Rot. Bonds3

About 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 102786999) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID102786999
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(N)=O)C1CO
InChIInChI=1S/C12H17N3O2/c1-8-4-6-15(10(8)7-16)12-9(11(13)17)3-2-5-14-12/h2-3,5,8,10,16H,4,6-7H2,1H3,(H2,13,17)
InChIKeyURYBQPAKHNBGKB-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

[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 129413727
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridazine-4-carbothioamide
CID 102781157
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102737995
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
2-(3-methylmorpholin-4-yl)pyridine-3-carboxamide
CID 155353856
4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
CID 173222605
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63855115
2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114198575
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 102786999) is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide is CC1CCN(c2ncccc2C(N)=O)C1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is URYBQPAKHNBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-6-15(10(8)7-16)12-9(11(13)17)3-2-5-14-12/h2-3,5,8,10,16H,4,6-7H2,1H3,(H2,13,17).
What are the key properties of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
2-[2-(hydroxymethyl)-3-methylpyrrolidin-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 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 102786999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).