2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H17N3O2 — CID 82762686

IUPAC2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccnc(NC2CCCC2(C)C(=O)O)c1C#N
InChIInChI=1S/C14H17N3O2/c1-9-5-7-16-12(10(9)8-15)17-11-4-3-6-14(11,2)13(18)19/h5,7,11H,3-4,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOPDSNEZBJRSAFZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.32
Rot. Bonds3

About 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762686) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762686
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccnc(NC2CCCC2(C)C(=O)O)c1C#N
InChIInChI=1S/C14H17N3O2/c1-9-5-7-16-12(10(9)8-15)17-11-4-3-6-14(11,2)13(18)19/h5,7,11H,3-4,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOPDSNEZBJRSAFZ-UHFFFAOYSA-N
XLogP2.32
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.32
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-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82762686) is 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid is Cc1ccnc(NC2CCCC2(C)C(=O)O)c1C#N.
What is the InChIKey of 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is OPDSNEZBJRSAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-5-7-16-12(10(9)8-15)17-11-4-3-6-14(11,2)13(18)19/h5,7,11H,3-4,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).