10-aminoanthracene-1-carboxamide

C15H12N2O — CID 23131366

IUPAC10-aminoanthracene-1-carboxamide
SMILESNC(=O)c1cccc2c(N)c3ccccc3cc12
InChIInChI=1S/C15H12N2O/c16-14-10-5-2-1-4-9(10)8-13-11(14)6-3-7-12(13)15(17)18/h1-8H,16H2,(H2,17,18)
InChIKeyJNMJYVIYWAWTDT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.67
Rot. Bonds1

About 10-aminoanthracene-1-carboxamide

10-aminoanthracene-1-carboxamide (PubChem CID 23131366) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 10-aminoanthracene-1-carboxamide.

Molecular Properties

Compound Name10-aminoanthracene-1-carboxamide
PubChem CID23131366
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name10-aminoanthracene-1-carboxamide
SMILESNC(=O)c1cccc2c(N)c3ccccc3cc12
InChIInChI=1S/C15H12N2O/c16-14-10-5-2-1-4-9(10)8-13-11(14)6-3-7-12(13)15(17)18/h1-8H,16H2,(H2,17,18)
InChIKeyJNMJYVIYWAWTDT-UHFFFAOYSA-N
XLogP2.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 129133768
CID 129133768
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CID 54284404
4-ethylanthracen-9-amine
CID 23131445
anthracene-1-carboxamide;pyridine-2-carboxamide
CID 87214967
6-(2-hydroxyphenyl)naphthalene-1-carboxamide
CID 69279515
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
CID 70080980
CID 70080980
2-amino-3-(2-methylquinolin-4-yl)benzamide
CID 69135546
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of 10-aminoanthracene-1-carboxamide?
The IUPAC name of 10-aminoanthracene-1-carboxamide (CID 23131366) is 10-aminoanthracene-1-carboxamide.
What is the SMILES notation for 10-aminoanthracene-1-carboxamide?
The canonical SMILES for 10-aminoanthracene-1-carboxamide is NC(=O)c1cccc2c(N)c3ccccc3cc12.
What is the InChIKey of 10-aminoanthracene-1-carboxamide?
The InChIKey is JNMJYVIYWAWTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-14-10-5-2-1-4-9(10)8-13-11(14)6-3-7-12(13)15(17)18/h1-8H,16H2,(H2,17,18).
What are the key properties of 10-aminoanthracene-1-carboxamide?
10-aminoanthracene-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-aminoanthracene-1-carboxamide is sourced from PubChem (CID 23131366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).