1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid

C11H11N3O2 — CID 114765459

IUPAC1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(C#N)cc(NC2(C(=O)O)CC2)n1
InChIInChI=1S/C11H11N3O2/c1-7-4-8(6-12)5-9(13-7)14-11(2-3-11)10(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyRMSNCIUXFYJALD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.29
Rot. Bonds3

About 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid

1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 114765459) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid
PubChem CID114765459
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(C#N)cc(NC2(C(=O)O)CC2)n1
InChIInChI=1S/C11H11N3O2/c1-7-4-8(6-12)5-9(13-7)14-11(2-3-11)10(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyRMSNCIUXFYJALD-UHFFFAOYSA-N
XLogP1.29
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid (CID 114765459) is 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid is Cc1cc(C#N)cc(NC2(C(=O)O)CC2)n1.
What is the InChIKey of 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is RMSNCIUXFYJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-4-8(6-12)5-9(13-7)14-11(2-3-11)10(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid?
1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).