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

C14H17N3O2 — CID 64670074

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
SMILESCc1cc(C)c(C#N)c(NC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C14H17N3O2/c1-8-6-9(2)16-12(11(8)7-15)17-14(3,13(18)19)10-4-5-10/h6,10H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHUXPJNJSZZONOG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds4

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 64670074) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
PubChem CID64670074
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
SMILESCc1cc(C)c(C#N)c(NC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C14H17N3O2/c1-8-6-9(2)16-12(11(8)7-15)17-14(3,13(18)19)10-4-5-10/h6,10H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHUXPJNJSZZONOG-UHFFFAOYSA-N
XLogP2.24
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid (CID 64670074) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid is Cc1cc(C)c(C#N)c(NC(C)(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is HUXPJNJSZZONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-6-9(2)16-12(11(8)7-15)17-14(3,13(18)19)10-4-5-10/h6,10H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 64670074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).