2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid

C14H11N3O2 — CID 21004433

IUPAC2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
SMILESN#Cc1cc(-c2ccccc2)cnc1NCC(=O)O
InChIInChI=1S/C14H11N3O2/c15-7-11-6-12(10-4-2-1-3-5-10)8-16-14(11)17-9-13(18)19/h1-6,8H,9H2,(H,16,17)(H,18,19)
InChIKeyHTDCABPVMQNAIW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.12
Rot. Bonds4

About 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid

2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid (PubChem CID 21004433) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
PubChem CID21004433
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
SMILESN#Cc1cc(-c2ccccc2)cnc1NCC(=O)O
InChIInChI=1S/C14H11N3O2/c15-7-11-6-12(10-4-2-1-3-5-10)8-16-14(11)17-9-13(18)19/h1-6,8H,9H2,(H,16,17)(H,18,19)
InChIKeyHTDCABPVMQNAIW-UHFFFAOYSA-N
XLogP2.12
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid (CID 21004433) is 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid is N#Cc1cc(-c2ccccc2)cnc1NCC(=O)O.
What is the InChIKey of 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid?
The InChIKey is HTDCABPVMQNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-7-11-6-12(10-4-2-1-3-5-10)8-16-14(11)17-9-13(18)19/h1-6,8H,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid?
2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 21004433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).