6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid

C13H18N2O3 — CID 16789577

IUPAC6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1ccncc1
InChIInChI=1S/C13H18N2O3/c16-12(10-11-5-8-14-9-6-11)15-7-3-1-2-4-13(17)18/h5-6,8-9H,1-4,7,10H2,(H,15,16)(H,17,18)
InChIKeyISBJDEULBHXCSR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds8

About 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid

6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid (PubChem CID 16789577) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
PubChem CID16789577
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1ccncc1
InChIInChI=1S/C13H18N2O3/c16-12(10-11-5-8-14-9-6-11)15-7-3-1-2-4-13(17)18/h5-6,8-9H,1-4,7,10H2,(H,15,16)(H,17,18)
InChIKeyISBJDEULBHXCSR-UHFFFAOYSA-N
XLogP1.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
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

7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid
CID 43352943
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
6-pyridin-4-ylhexanoic acid
CID 12904562
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid (CID 16789577) is 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cc1ccncc1.
What is the InChIKey of 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid?
The InChIKey is ISBJDEULBHXCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(10-11-5-8-14-9-6-11)15-7-3-1-2-4-13(17)18/h5-6,8-9H,1-4,7,10H2,(H,15,16)(H,17,18).
What are the key properties of 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid?
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 16789577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).