2-(6-methylheptanoylamino)pyridine-4-carboxylic acid

C14H20N2O3 — CID 115273439

IUPAC2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
SMILESCC(C)CCCCC(=O)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H20N2O3/c1-10(2)5-3-4-6-13(17)16-12-9-11(14(18)19)7-8-15-12/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGGPYLRNACONBMJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.93
Rot. Bonds7

About 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid

2-(6-methylheptanoylamino)pyridine-4-carboxylic acid (PubChem CID 115273439) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
PubChem CID115273439
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
SMILESCC(C)CCCCC(=O)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H20N2O3/c1-10(2)5-3-4-6-13(17)16-12-9-11(14(18)19)7-8-15-12/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGGPYLRNACONBMJ-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(16-methylheptadecanoylamino)benzoic acid
CID 139715383
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
N-(5-amino-2-pyridinyl)-6-methylheptanamide
CID 115273760
2-hydrazinyl-N-(5-methylhexyl)pyridine-4-carboxamide
CID 115327351
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-hydrazinyl-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818117
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
CID 103161966
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
6-methyl-N-[4-(2-methylpropanoyl)phenyl]heptanamide
CID 168735122

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid (CID 115273439) is 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid is CC(C)CCCCC(=O)Nc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid?
The InChIKey is GGPYLRNACONBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)5-3-4-6-13(17)16-12-9-11(14(18)19)7-8-15-12/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid?
2-(6-methylheptanoylamino)pyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptanoylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 115273439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).