4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid

C12H16N2O4 — CID 114244358

IUPAC4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(7-18-3)14(2)11(15)9-4-5-13-6-10(9)12(16)17/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeySXKUGBIYQRNDGW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.89
Rot. Bonds5

About 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid

4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114244358) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114244358
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(7-18-3)14(2)11(15)9-4-5-13-6-10(9)12(16)17/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeySXKUGBIYQRNDGW-UHFFFAOYSA-N
XLogP0.89
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242683
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
3-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-4-carboxamide
CID 81443763
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833

Frequently Asked Questions

What is the IUPAC name of 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid (CID 114244358) is 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid is COCC(C)N(C)C(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is SXKUGBIYQRNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(7-18-3)14(2)11(15)9-4-5-13-6-10(9)12(16)17/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid?
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).