6-(4-methylpentylamino)pyridine-3-carboxylic acid

C12H18N2O2 — CID 63002439

IUPAC6-(4-methylpentylamino)pyridine-3-carboxylic acid
SMILESCC(C)CCCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O2/c1-9(2)4-3-7-13-11-6-5-10(8-14-11)12(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLTUSOXSSLWESQR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.63
Rot. Bonds6

About 6-(4-methylpentylamino)pyridine-3-carboxylic acid

6-(4-methylpentylamino)pyridine-3-carboxylic acid (PubChem CID 63002439) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(4-methylpentylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpentylamino)pyridine-3-carboxylic acid
PubChem CID63002439
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-(4-methylpentylamino)pyridine-3-carboxylic acid
SMILESCC(C)CCCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O2/c1-9(2)4-3-7-13-11-6-5-10(8-14-11)12(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLTUSOXSSLWESQR-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.63
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

6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
4-(4-methylpentylamino)benzoic acid
CID 63003341
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
4-(12-methyltridecylamino)benzoic acid
CID 21057297
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
CID 114468121

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpentylamino)pyridine-3-carboxylic acid (CID 63002439) is 6-(4-methylpentylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpentylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpentylamino)pyridine-3-carboxylic acid is CC(C)CCCNc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-methylpentylamino)pyridine-3-carboxylic acid?
The InChIKey is LTUSOXSSLWESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)4-3-7-13-11-6-5-10(8-14-11)12(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6-(4-methylpentylamino)pyridine-3-carboxylic acid?
6-(4-methylpentylamino)pyridine-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpentylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63002439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).