2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C18H16N4O — CID 6885425

IUPAC2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccn1
InChIInChI=1S/C18H16N4O/c23-18(22-21-12-17-7-3-4-10-19-17)13-20-16-9-8-14-5-1-2-6-15(14)11-16/h1-12,20H,13H2,(H,22,23)/b21-12+
InChIKeyMRZYSDSYUMVKLT-CIAFOILYSA-N
MW304.35 g/mol
LogP2.80
Rot. Bonds5

About 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 6885425) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID6885425
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccn1
InChIInChI=1S/C18H16N4O/c23-18(22-21-12-17-7-3-4-10-19-17)13-20-16-9-8-14-5-1-2-6-15(14)11-16/h1-12,20H,13H2,(H,22,23)/b21-12+
InChIKeyMRZYSDSYUMVKLT-CIAFOILYSA-N
XLogP2.80
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Benzyl-1-piperazinyl)-N'-(1-(4-pyridinyl)ethylidene)acetohydrazide
CID 9617944
N'-(4-pyridinylmethylene)-2-(4-toluidino)acetohydrazide
CID 9593998
2-(3-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5424632
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6887135
2-(2-naphthylamino)-N-[(E)-4-pyridylmethyleneamino]propionamide
CID 9655973
4-(3-methylanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]butanamide
CID 9661171
(Z)-N'-((1H-pyrrol-2-yl)methylene)-2-(p-tolylamino)acetohydrazide
CID 135515673
2-(naphthalen-1-ylamino)-N'-[(E)-1H-pyrrol-2-ylmethylidene]acetohydrazide (non-preferred name)
CID 135641793
2-(3-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135845995
N-((1E)-2-(4-pyridyl)-1-azavinyl)-2-(phenylamino)acetamide
CID 9579814
6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 44480387
2-amino-N-isoquinolin-6-yl-2-phenylacetamide
CID 66906143

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 6885425) is 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccn1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is MRZYSDSYUMVKLT-CIAFOILYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(22-21-12-17-7-3-4-10-19-17)13-20-16-9-8-14-5-1-2-6-15(14)11-16/h1-12,20H,13H2,(H,22,23)/b21-12+.
What are the key properties of 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6885425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).