2-(hexylamino)pyridine-3-carboxylic acid

C12H18N2O2 — CID 14222051

IUPAC2-(hexylamino)pyridine-3-carboxylic acid
SMILESCCCCCCNc1ncccc1C(=O)O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-8-13-11-10(12(15)16)7-6-9-14-11/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyWWPMHCXLNDMKFK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.77
Rot. Bonds7

About 2-(hexylamino)pyridine-3-carboxylic acid

2-(hexylamino)pyridine-3-carboxylic acid (PubChem CID 14222051) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(hexylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(hexylamino)pyridine-3-carboxylic acid
PubChem CID14222051
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(hexylamino)pyridine-3-carboxylic acid
SMILESCCCCCCNc1ncccc1C(=O)O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-8-13-11-10(12(15)16)7-6-9-14-11/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyWWPMHCXLNDMKFK-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.77
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

2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-(butylamino)pyridine-3-carboxamide
CID 29031037
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
[2-(decylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998224
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
CID 139998090
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(hexylamino)pyridine-3-carboxylic acid (CID 14222051) is 2-(hexylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(hexylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(hexylamino)pyridine-3-carboxylic acid is CCCCCCNc1ncccc1C(=O)O.
What is the InChIKey of 2-(hexylamino)pyridine-3-carboxylic acid?
The InChIKey is WWPMHCXLNDMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-5-8-13-11-10(12(15)16)7-6-9-14-11/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(hexylamino)pyridine-3-carboxylic acid?
2-(hexylamino)pyridine-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 14222051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).