N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide

C14H14N4O — CID 4749358

IUPACN-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
SMILESNC(=NNC(=O)Cc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N4O/c15-14(12-8-4-5-9-16-12)18-17-13(19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,18)(H,17,19)
InChIKeyGKJJEQAAWYNTPD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.06
Rot. Bonds4

About N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide

N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide (PubChem CID 4749358) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
PubChem CID4749358
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
SMILESNC(=NNC(=O)Cc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N4O/c15-14(12-8-4-5-9-16-12)18-17-13(19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,18)(H,17,19)
InChIKeyGKJJEQAAWYNTPD-UHFFFAOYSA-N
XLogP1.06
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-hydroxybenzamide
CID 15777277
2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 4522420
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 170639977
N'-(pyridin-2-ylamino)pyridine-2-carboximidamide
CID 139161473
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944587
[[amino(pyridin-2-yl)methylidene]amino] 4-phenylbutanoate
CID 2234799
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
2-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051
gallium;bis(N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-N'-ethylcarbamimidothioate);nitrate
CID 42631898

Frequently Asked Questions

What is the IUPAC name of N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide (CID 4749358) is N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide is NC(=NNC(=O)Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide?
The InChIKey is GKJJEQAAWYNTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-14(12-8-4-5-9-16-12)18-17-13(19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,18)(H,17,19).
What are the key properties of N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide?
N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide has a molecular weight of 254.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 4749358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).