7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid

C14H20N2O3 — CID 24700548

IUPAC7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cc1ccncc1
InChIInChI=1S/C14H20N2O3/c17-13(11-12-6-9-15-10-7-12)16-8-4-2-1-3-5-14(18)19/h6-7,9-10H,1-5,8,11H2,(H,16,17)(H,18,19)
InChIKeyWMHAKGSEEYVRIE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds9

About 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid

7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid (PubChem CID 24700548) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
PubChem CID24700548
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cc1ccncc1
InChIInChI=1S/C14H20N2O3/c17-13(11-12-6-9-15-10-7-12)16-8-4-2-1-3-5-14(18)19/h6-7,9-10H,1-5,8,11H2,(H,16,17)(H,18,19)
InChIKeyWMHAKGSEEYVRIE-UHFFFAOYSA-N
XLogP1.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
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-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
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 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid (CID 24700548) is 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)Cc1ccncc1.
What is the InChIKey of 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid?
The InChIKey is WMHAKGSEEYVRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(11-12-6-9-15-10-7-12)16-8-4-2-1-3-5-14(18)19/h6-7,9-10H,1-5,8,11H2,(H,16,17)(H,18,19).
What are the key properties of 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid?
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid is sourced from PubChem (CID 24700548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).