4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid

C12H16N2O4 — CID 114244376

IUPAC4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
SMILESCOCCCCNC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-7-3-2-5-14-11(15)9-4-6-13-8-10(9)12(16)17/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBSCOGYZKKCWOTL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.94
Rot. Bonds7

About 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid

4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 114244376) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID114244376
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
SMILESCOCCCCNC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-7-3-2-5-14-11(15)9-4-6-13-8-10(9)12(16)17/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBSCOGYZKKCWOTL-UHFFFAOYSA-N
XLogP0.94
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid (CID 114244376) is 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid is COCCCCNC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is BSCOGYZKKCWOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-7-3-2-5-14-11(15)9-4-6-13-8-10(9)12(16)17/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid?
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114244376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).