4-amino-6-(pentylamino)pyridine-3-carboxylic acid

C11H17N3O2 — CID 112517916

IUPAC4-amino-6-(pentylamino)pyridine-3-carboxylic acid
SMILESCCCCCNc1cc(N)c(C(=O)O)cn1
InChIInChI=1S/C11H17N3O2/c1-2-3-4-5-13-10-6-9(12)8(7-14-10)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H3,12,13,14)
InChIKeyIKXSDFGTQISDQB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.96
Rot. Bonds6

About 4-amino-6-(pentylamino)pyridine-3-carboxylic acid

4-amino-6-(pentylamino)pyridine-3-carboxylic acid (PubChem CID 112517916) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-6-(pentylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(pentylamino)pyridine-3-carboxylic acid
PubChem CID112517916
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-amino-6-(pentylamino)pyridine-3-carboxylic acid
SMILESCCCCCNc1cc(N)c(C(=O)O)cn1
InChIInChI=1S/C11H17N3O2/c1-2-3-4-5-13-10-6-9(12)8(7-14-10)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H3,12,13,14)
InChIKeyIKXSDFGTQISDQB-UHFFFAOYSA-N
XLogP1.96
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(methylamino)pyridine-3-carboxylic acid
CID 83635634
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
4-amino-6-hydrazinylpyridine-3-carboxylic acid
CID 166173514
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
5-[(4-amino-5-methyl-2-pyridinyl)amino]pentanamide
CID 106234120
2-N-hexylpyridine-2,5-diamine
CID 21487111
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(pentylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-(pentylamino)pyridine-3-carboxylic acid (CID 112517916) is 4-amino-6-(pentylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-(pentylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-(pentylamino)pyridine-3-carboxylic acid is CCCCCNc1cc(N)c(C(=O)O)cn1.
What is the InChIKey of 4-amino-6-(pentylamino)pyridine-3-carboxylic acid?
The InChIKey is IKXSDFGTQISDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-4-5-13-10-6-9(12)8(7-14-10)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H3,12,13,14).
What are the key properties of 4-amino-6-(pentylamino)pyridine-3-carboxylic acid?
4-amino-6-(pentylamino)pyridine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(pentylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 112517916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).