4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid

C14H22N2O2 — CID 115327372

IUPAC4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
SMILESCc1ccnc(NCCCCC(C)C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-10(2)6-4-5-8-15-13-12(14(17)18)11(3)7-9-16-13/h7,9-10H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyAGHMYXAPNIXATE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.33
Rot. Bonds7

About 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid

4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid (PubChem CID 115327372) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
PubChem CID115327372
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
SMILESCc1ccnc(NCCCCC(C)C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-10(2)6-4-5-8-15-13-12(14(17)18)11(3)7-9-16-13/h7,9-10H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyAGHMYXAPNIXATE-UHFFFAOYSA-N
XLogP3.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.33
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

5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid
CID 104683248
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
1-(5-methylhexylamino)isoquinolin-7-ol
CID 106539204
2-methyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 113440749
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid (CID 115327372) is 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid is Cc1ccnc(NCCCCC(C)C)c1C(=O)O.
What is the InChIKey of 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid?
The InChIKey is AGHMYXAPNIXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)6-4-5-8-15-13-12(14(17)18)11(3)7-9-16-13/h7,9-10H,4-6,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid?
4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 115327372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).