6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide

C14H14N4O3 — CID 170637109

IUPAC6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(Oc2ccc(/C(N)=N/O)cc2)n1
InChIInChI=1S/C14H14N4O3/c1-16-14(19)11-3-2-4-12(17-11)21-10-7-5-9(6-8-10)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,16,19)
InChIKeyODEIQSLNCRMDSS-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.33
Rot. Bonds4

About 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide

6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 170637109) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID170637109
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(Oc2ccc(/C(N)=N/O)cc2)n1
InChIInChI=1S/C14H14N4O3/c1-16-14(19)11-3-2-4-12(17-11)21-10-7-5-9(6-8-10)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,16,19)
InChIKeyODEIQSLNCRMDSS-UHFFFAOYSA-N
XLogP1.33
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 170637109) is 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(Oc2ccc(/C(N)=N/O)cc2)n1.
What is the InChIKey of 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is ODEIQSLNCRMDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-16-14(19)11-3-2-4-12(17-11)21-10-7-5-9(6-8-10)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,16,19).
What are the key properties of 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide?
6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170637109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).