2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid

C14H20N2O3 — CID 122055270

IUPAC2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCC(C)CN(C(=O)c1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)8-16(10(3)4)13(17)12-7-11(14(18)19)5-6-15-12/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyJIKLAEOCYTYHAR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid

2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055270) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055270
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCC(C)CN(C(=O)c1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)8-16(10(3)4)13(17)12-7-11(14(18)19)5-6-15-12/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyJIKLAEOCYTYHAR-UHFFFAOYSA-N
XLogP2.29
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122056280
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055619
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056277
lithium;hydride;methanone;pyridine-2,4-dicarboxylic acid;rhodium
CID 175056522
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid (CID 122055270) is 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid is CC(C)CN(C(=O)c1cc(C(=O)O)ccn1)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is JIKLAEOCYTYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)8-16(10(3)4)13(17)12-7-11(14(18)19)5-6-15-12/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).