2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid

C13H15N3O2 — CID 82762993

IUPAC2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1cccc(C#N)n1
InChIInChI=1S/C13H15N3O2/c1-13(12(17)18)7-3-5-10(13)16-11-6-2-4-9(8-14)15-11/h2,4,6,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMCDOZWCTDAREPH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.01
Rot. Bonds3

About 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762993) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762993
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1cccc(C#N)n1
InChIInChI=1S/C13H15N3O2/c1-13(12(17)18)7-3-5-10(13)16-11-6-2-4-9(8-14)15-11/h2,4,6,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMCDOZWCTDAREPH-UHFFFAOYSA-N
XLogP2.01
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82762993) is 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1Nc1cccc(C#N)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is MCDOZWCTDAREPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(12(17)18)7-3-5-10(13)16-11-6-2-4-9(8-14)15-11/h2,4,6,10H,3,5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).