4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide

C19H17N3O2 — CID 142112568

IUPAC4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
SMILES[H]/N=C(\c1ccc2cc(OC)ccc2c1)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C19H17N3O2/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)18(21)16-10-14(19(22)23)5-7-17(16)20/h2-10,21H,20H2,1H3,(H2,22,23)/b21-18+
InChIKeyQSZXLSUPJPRUHB-DYTRJAOYSA-N
MW319.36 g/mol
LogP2.95
Rot. Bonds4

About 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide

4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide (PubChem CID 142112568) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
PubChem CID142112568
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
SMILES[H]/N=C(\c1ccc2cc(OC)ccc2c1)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C19H17N3O2/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)18(21)16-10-14(19(22)23)5-7-17(16)20/h2-10,21H,20H2,1H3,(H2,22,23)/b21-18+
InChIKeyQSZXLSUPJPRUHB-DYTRJAOYSA-N
XLogP2.95
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-amino-5-(2-amino-5-carbamoylbenzenecarboximidoyl)phenyl] acetate
CID 123953939
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline
CID 142179037
2-amino-5-methoxybenzamide;ethane
CID 142071126
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate
CID 20849712
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
methyl 2-amino-5-methoxybenzoate
CID 13052275

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?
The IUPAC name of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide (CID 142112568) is 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide.
What is the SMILES notation for 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?
The canonical SMILES for 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide is [H]/N=C(\c1ccc2cc(OC)ccc2c1)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?
The InChIKey is QSZXLSUPJPRUHB-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)18(21)16-10-14(19(22)23)5-7-17(16)20/h2-10,21H,20H2,1H3,(H2,22,23)/b21-18+.
What are the key properties of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?
4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide is sourced from PubChem (CID 142112568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).