5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid

C14H19N3O2 — CID 82847005

IUPAC5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid
SMILESCc1cc(NC(C)CCCC(=O)O)c(C#N)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-9(5-4-6-14(18)19)17-13-7-10(2)16-11(3)12(13)8-15/h7,9H,4-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCHKFADQDOVRXLA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.63
Rot. Bonds6

About 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid

5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid (PubChem CID 82847005) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid
PubChem CID82847005
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid
SMILESCc1cc(NC(C)CCCC(=O)O)c(C#N)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-9(5-4-6-14(18)19)17-13-7-10(2)16-11(3)12(13)8-15/h7,9H,4-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCHKFADQDOVRXLA-UHFFFAOYSA-N
XLogP2.63
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid?
The IUPAC name of 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid (CID 82847005) is 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid is Cc1cc(NC(C)CCCC(=O)O)c(C#N)c(C)n1.
What is the InChIKey of 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid?
The InChIKey is CHKFADQDOVRXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(5-4-6-14(18)19)17-13-7-10(2)16-11(3)12(13)8-15/h7,9H,4-6H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid?
5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 82847005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).