6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid

C12H16N2O4 — CID 55140872

IUPAC6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCCN(C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H16N2O4/c1-14(7-4-8-18-2)11(15)9-5-3-6-10(13-9)12(16)17/h3,5-6H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyJQXYFOFFLRVYGT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.89
Rot. Bonds6

About 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid

6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 55140872) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID55140872
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCCN(C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H16N2O4/c1-14(7-4-8-18-2)11(15)9-5-3-6-10(13-9)12(16)17/h3,5-6H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyJQXYFOFFLRVYGT-UHFFFAOYSA-N
XLogP0.89
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
5-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 63722720
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568985
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
6-N-butyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109098641
CID 91986542
CID 91986542

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 55140872) is 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid is COCCCN(C)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JQXYFOFFLRVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(7-4-8-18-2)11(15)9-5-3-6-10(13-9)12(16)17/h3,5-6H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55140872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).