5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid

C13H17N3O4 — CID 63157945

IUPAC5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C13H17N3O4/c17-8-11-3-1-2-4-16(11)13(20)15-10-5-9(12(18)19)6-14-7-10/h5-7,11,17H,1-4,8H2,(H,15,20)(H,18,19)
InChIKeyIZPYVYCQCXOTAB-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.16
Rot. Bonds3

About 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid

5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 63157945) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID63157945
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C13H17N3O4/c17-8-11-3-1-2-4-16(11)13(20)15-10-5-9(12(18)19)6-14-7-10/h5-7,11,17H,1-4,8H2,(H,15,20)(H,18,19)
InChIKeyIZPYVYCQCXOTAB-UHFFFAOYSA-N
XLogP1.16
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157950
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
dimethyl 5-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 72911500
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 81197548
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid (CID 63157945) is 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)N2CCCCC2CO)c1.
What is the InChIKey of 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is IZPYVYCQCXOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-8-11-3-1-2-4-16(11)13(20)15-10-5-9(12(18)19)6-14-7-10/h5-7,11,17H,1-4,8H2,(H,15,20)(H,18,19).
What are the key properties of 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).