N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

C13H10N5O2- — CID 162746436

IUPACN-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1cc(N[O-])ccn1)c1ccncc1C#N
InChIInChI=1S/C13H10N5O2/c1-9(19)18(12-3-4-15-8-10(12)7-14)13-6-11(17-20)2-5-16-13/h2-6,8H,1H3,(H-,16,17,20)/q-1
InChIKeyYQHVHFQYJZULTG-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.94
Rot. Bonds3

About N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (PubChem CID 162746436) has the molecular formula C13H10N5O2- and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
PubChem CID162746436
Molecular FormulaC13H10N5O2-
Molecular Weight268.26 g/mol
Exact Mass268.08
IUPAC NameN-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1cc(N[O-])ccn1)c1ccncc1C#N
InChIInChI=1S/C13H10N5O2/c1-9(19)18(12-3-4-15-8-10(12)7-14)13-6-11(17-20)2-5-16-13/h2-6,8H,1H3,(H-,16,17,20)/q-1
InChIKeyYQHVHFQYJZULTG-UHFFFAOYSA-N
XLogP1.94
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The IUPAC name of N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (CID 162746436) is N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is CC(=O)N(c1cc(N[O-])ccn1)c1ccncc1C#N.
What is the InChIKey of N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The InChIKey is YQHVHFQYJZULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N5O2/c1-9(19)18(12-3-4-15-8-10(12)7-14)13-6-11(17-20)2-5-16-13/h2-6,8H,1H3,(H-,16,17,20)/q-1.
What are the key properties of N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide has a molecular weight of 268.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-pyridinyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 162746436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).