4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 115730263

IUPAC4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCC(C)N(C)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-4-8(2)14(3)11(15)9-5-6-13-10(7-9)12(16)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyWFCVKGUWKLFWLV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.65
Rot. Bonds4

About 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid

4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730263) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730263
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCC(C)N(C)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-4-8(2)14(3)11(15)9-5-6-13-10(7-9)12(16)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyWFCVKGUWKLFWLV-UHFFFAOYSA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111
4-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113352920
4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113263118
4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119184411
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836400
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730175
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 120550709
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730263) is 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid is CCC(C)N(C)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WFCVKGUWKLFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-8(2)14(3)11(15)9-5-6-13-10(7-9)12(16)17/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid?
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).