N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide

C16H14N4O2 — CID 174424165

IUPACN-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide
SMILESO=CNNc1cc2cc3ccccc3cc2cc1NNC=O
InChIInChI=1S/C16H14N4O2/c21-9-17-19-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)20-18-10-22/h1-10,19-20H,(H,17,21)(H,18,22)
InChIKeySPSAEXDQSLUCRB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.14
Rot. Bonds6

About N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide

N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide (PubChem CID 174424165) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide.

Molecular Properties

Compound NameN-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide
PubChem CID174424165
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide
SMILESO=CNNc1cc2cc3ccccc3cc2cc1NNC=O
InChIInChI=1S/C16H14N4O2/c21-9-17-19-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)20-18-10-22/h1-10,19-20H,(H,17,21)(H,18,22)
InChIKeySPSAEXDQSLUCRB-UHFFFAOYSA-N
XLogP2.14
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide?
The IUPAC name of N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide (CID 174424165) is N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide.
What is the SMILES notation for N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide?
The canonical SMILES for N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide is O=CNNc1cc2cc3ccccc3cc2cc1NNC=O.
What is the InChIKey of N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide?
The InChIKey is SPSAEXDQSLUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-9-17-19-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)20-18-10-22/h1-10,19-20H,(H,17,21)(H,18,22).
What are the key properties of N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide?
N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide has a molecular weight of 294.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-formylhydrazinyl)anthracen-2-yl]amino]formamide is sourced from PubChem (CID 174424165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).