2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid

C16H24N2O3 — CID 79490710

IUPAC2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-12(6-2)18(10-11(3)4)15(19)14-13(16(20)21)8-7-9-17-14/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyZFGHPRKKCDZFRP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.07
Rot. Bonds7

About 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid

2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 79490710) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID79490710
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-12(6-2)18(10-11(3)4)15(19)14-13(16(20)21)8-7-9-17-14/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyZFGHPRKKCDZFRP-UHFFFAOYSA-N
XLogP3.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
pyridine-2,3-dicarboxylic acid
CID 1066
2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490268
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
2-[2-methylpropyl(pentan-3-yl)amino]benzoic acid
CID 79483064

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid (CID 79490710) is 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid is CCC(CC)N(CC(C)C)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ZFGHPRKKCDZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(6-2)18(10-11(3)4)15(19)14-13(16(20)21)8-7-9-17-14/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 79490710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).