5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid

C12H15N3O4 — CID 112626767

IUPAC5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C12H15N3O4/c16-7-8-1-2-15(6-8)12(19)14-10-3-9(11(17)18)4-13-5-10/h3-5,8,16H,1-2,6-7H2,(H,14,19)(H,17,18)
InChIKeyHHMGBQOVRLYADJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.63
Rot. Bonds3

About 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid

5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 112626767) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID112626767
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C12H15N3O4/c16-7-8-1-2-15(6-8)12(19)14-10-3-9(11(17)18)4-13-5-10/h3-5,8,16H,1-2,6-7H2,(H,14,19)(H,17,18)
InChIKeyHHMGBQOVRLYADJ-UHFFFAOYSA-N
XLogP0.63
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 107589216
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 81197548
5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 65282409
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid (CID 112626767) is 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)N2CCC(CO)C2)c1.
What is the InChIKey of 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HHMGBQOVRLYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-7-8-1-2-15(6-8)12(19)14-10-3-9(11(17)18)4-13-5-10/h3-5,8,16H,1-2,6-7H2,(H,14,19)(H,17,18).
What are the key properties of 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 112626767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).