5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid

C14H19N3O4 — CID 63978450

IUPAC5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCOCC1CCN(C(=O)Nc2cncc(C(=O)O)c2)CC1
InChIInChI=1S/C14H19N3O4/c1-21-9-10-2-4-17(5-3-10)14(20)16-12-6-11(13(18)19)7-15-8-12/h6-8,10H,2-5,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyQFGFKDODBCIQDW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.67
Rot. Bonds4

About 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid

5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 63978450) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID63978450
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCOCC1CCN(C(=O)Nc2cncc(C(=O)O)c2)CC1
InChIInChI=1S/C14H19N3O4/c1-21-9-10-2-4-17(5-3-10)14(20)16-12-6-11(13(18)19)7-15-8-12/h6-8,10H,2-5,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyQFGFKDODBCIQDW-UHFFFAOYSA-N
XLogP1.67
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 63980183
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 65282409
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
3-fluoro-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597823

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid (CID 63978450) is 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid is COCC1CCN(C(=O)Nc2cncc(C(=O)O)c2)CC1.
What is the InChIKey of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is QFGFKDODBCIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-9-10-2-4-17(5-3-10)14(20)16-12-6-11(13(18)19)7-15-8-12/h6-8,10H,2-5,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid?
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63978450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).