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

C13H18N2O3 — CID 43430158

IUPAC6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)C(C)N(C)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-8(2)9(3)15(4)12(16)11-6-5-10(7-14-11)13(17)18/h5-9H,1-4H3,(H,17,18)
InChIKeyCIOSDIFURPZSRL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.90
Rot. Bonds4

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

6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43430158) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43430158
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)C(C)N(C)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-8(2)9(3)15(4)12(16)11-6-5-10(7-14-11)13(17)18/h5-9H,1-4H3,(H,17,18)
InChIKeyCIOSDIFURPZSRL-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
6-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 112663249
4-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113352920
6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 63972005
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
pyridine-2,5-dicarboxylic acid
CID 158970171
2-methyl-6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43570535
N-methyl-6-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168719
6-acetylpyridine-3-carboxylic acid
CID 22323784
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid (CID 43430158) is 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid is CC(C)C(C)N(C)C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is CIOSDIFURPZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)9(3)15(4)12(16)11-6-5-10(7-14-11)13(17)18/h5-9H,1-4H3,(H,17,18).
What are the key properties of 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43430158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).