8-amino-3-methylnaphthalene-2-carboxamide

C12H12N2O — CID 21300607

IUPAC8-amino-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cccc(N)c2cc1C(N)=O
InChIInChI=1S/C12H12N2O/c1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKeySLCXYRRMERSFLI-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.83
Rot. Bonds1

About 8-amino-3-methylnaphthalene-2-carboxamide

8-amino-3-methylnaphthalene-2-carboxamide (PubChem CID 21300607) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 8-amino-3-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name8-amino-3-methylnaphthalene-2-carboxamide
PubChem CID21300607
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name8-amino-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cccc(N)c2cc1C(N)=O
InChIInChI=1S/C12H12N2O/c1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKeySLCXYRRMERSFLI-UHFFFAOYSA-N
XLogP1.83
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
1-(5-aminonaphthalen-2-yl)ethanone
CID 115016880
5-methylnaphthalene-2-carboxamide
CID 89351493
1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine
CID 91081675
6-methylquinoline-7-carboxamide
CID 142343744
7-methyl-6-phosphanylnaphthalen-1-amine
CID 142187814
3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide
CID 70377327
8-aminonaphthalene-2-carboxylic acid
CID 13440887
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
CID 70080980
CID 70080980
6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinoline;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;2-chloro-3-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;2-fluoro-3-methylnaphthalene;7-methylisoquinoline-6-carboxamide;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine
CID 159574716

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methylnaphthalene-2-carboxamide?
The IUPAC name of 8-amino-3-methylnaphthalene-2-carboxamide (CID 21300607) is 8-amino-3-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 8-amino-3-methylnaphthalene-2-carboxamide?
The canonical SMILES for 8-amino-3-methylnaphthalene-2-carboxamide is Cc1cc2cccc(N)c2cc1C(N)=O.
What is the InChIKey of 8-amino-3-methylnaphthalene-2-carboxamide?
The InChIKey is SLCXYRRMERSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15/h2-6H,13H2,1H3,(H2,14,15).
What are the key properties of 8-amino-3-methylnaphthalene-2-carboxamide?
8-amino-3-methylnaphthalene-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 21300607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).