6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C12H16N2O4 — CID 62338580

IUPAC6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N(C)CC(C)O)ccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(15)6-14(3)11(16)10-5-4-9(12(17)18)8(2)13-10/h4-5,7,15H,6H2,1-3H3,(H,17,18)
InChIKeyBYXZBHDJDPTVMD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.54
Rot. Bonds4

About 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 62338580) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID62338580
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N(C)CC(C)O)ccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(15)6-14(3)11(16)10-5-4-9(12(17)18)8(2)13-10/h4-5,7,15H,6H2,1-3H3,(H,17,18)
InChIKeyBYXZBHDJDPTVMD-UHFFFAOYSA-N
XLogP0.54
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43570535
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 43563869
6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453017
6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 79385788
6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 138045593
6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61466256
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243
N-(2-hydroxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103747215
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62850825
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 62338580) is 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)N(C)CC(C)O)ccc1C(=O)O.
What is the InChIKey of 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is BYXZBHDJDPTVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(15)6-14(3)11(16)10-5-4-9(12(17)18)8(2)13-10/h4-5,7,15H,6H2,1-3H3,(H,17,18).
What are the key properties of 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).