2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid

C14H10N4O3 — CID 107339395

IUPAC2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESN#Cc1ccc(C(=O)Nc2ccc(CC(=O)O)nc2)nc1
InChIInChI=1S/C14H10N4O3/c15-6-9-1-4-12(17-7-9)14(21)18-11-3-2-10(16-8-11)5-13(19)20/h1-4,7-8H,5H2,(H,18,21)(H,19,20)
InChIKeyMYEBNDOSYUWAHR-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.23
Rot. Bonds4

About 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107339395) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107339395
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESN#Cc1ccc(C(=O)Nc2ccc(CC(=O)O)nc2)nc1
InChIInChI=1S/C14H10N4O3/c15-6-9-1-4-12(17-7-9)14(21)18-11-3-2-10(16-8-11)5-13(19)20/h1-4,7-8H,5H2,(H,18,21)(H,19,20)
InChIKeyMYEBNDOSYUWAHR-UHFFFAOYSA-N
XLogP1.23
TPSA115.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107339395) is 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid is N#Cc1ccc(C(=O)Nc2ccc(CC(=O)O)nc2)nc1.
What is the InChIKey of 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is MYEBNDOSYUWAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-6-9-1-4-12(17-7-9)14(21)18-11-3-2-10(16-8-11)5-13(19)20/h1-4,7-8H,5H2,(H,18,21)(H,19,20).
What are the key properties of 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).