2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

C16H16N4O — CID 126202012

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(CN1Cc2ccccc2C1)N/N=C\c1cccnc1
InChIInChI=1S/C16H16N4O/c21-16(19-18-9-13-4-3-7-17-8-13)12-20-10-14-5-1-2-6-15(14)11-20/h1-9H,10-12H2,(H,19,21)/b18-9-
InChIKeyQKSZBZVMLOWWGT-NVMNQCDNSA-N
MW280.33 g/mol
LogP1.55
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 126202012) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID126202012
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(CN1Cc2ccccc2C1)N/N=C\c1cccnc1
InChIInChI=1S/C16H16N4O/c21-16(19-18-9-13-4-3-7-17-8-13)12-20-10-14-5-1-2-6-15(14)11-20/h1-9H,10-12H2,(H,19,21)/b18-9-
InChIKeyQKSZBZVMLOWWGT-NVMNQCDNSA-N
XLogP1.55
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
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

N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884557
N-[(Z)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424330
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide
CID 5209307
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 2730075
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664
N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4633351
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5418808
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (CID 126202012) is 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is O=C(CN1Cc2ccccc2C1)N/N=C\c1cccnc1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is QKSZBZVMLOWWGT-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(19-18-9-13-4-3-7-17-8-13)12-20-10-14-5-1-2-6-15(14)11-20/h1-9H,10-12H2,(H,19,21)/b18-9-.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 126202012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).