5-amino-2-(dicyclopropylmethylamino)benzamide

C14H19N3O — CID 61481275

IUPAC5-amino-2-(dicyclopropylmethylamino)benzamide
SMILESNC(=O)c1cc(N)ccc1NC(C1CC1)C1CC1
InChIInChI=1S/C14H19N3O/c15-10-5-6-12(11(7-10)14(16)18)17-13(8-1-2-8)9-3-4-9/h5-9,13,17H,1-4,15H2,(H2,16,18)
InChIKeyHTIBSSGCQXTRGJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.97
Rot. Bonds5

About 5-amino-2-(dicyclopropylmethylamino)benzamide

5-amino-2-(dicyclopropylmethylamino)benzamide (PubChem CID 61481275) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-2-(dicyclopropylmethylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-(dicyclopropylmethylamino)benzamide
PubChem CID61481275
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-2-(dicyclopropylmethylamino)benzamide
SMILESNC(=O)c1cc(N)ccc1NC(C1CC1)C1CC1
InChIInChI=1S/C14H19N3O/c15-10-5-6-12(11(7-10)14(16)18)17-13(8-1-2-8)9-3-4-9/h5-9,13,17H,1-4,15H2,(H2,16,18)
InChIKeyHTIBSSGCQXTRGJ-UHFFFAOYSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dicyclopropylmethylamino)benzamide?
The IUPAC name of 5-amino-2-(dicyclopropylmethylamino)benzamide (CID 61481275) is 5-amino-2-(dicyclopropylmethylamino)benzamide.
What is the SMILES notation for 5-amino-2-(dicyclopropylmethylamino)benzamide?
The canonical SMILES for 5-amino-2-(dicyclopropylmethylamino)benzamide is NC(=O)c1cc(N)ccc1NC(C1CC1)C1CC1.
What is the InChIKey of 5-amino-2-(dicyclopropylmethylamino)benzamide?
The InChIKey is HTIBSSGCQXTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-5-6-12(11(7-10)14(16)18)17-13(8-1-2-8)9-3-4-9/h5-9,13,17H,1-4,15H2,(H2,16,18).
What are the key properties of 5-amino-2-(dicyclopropylmethylamino)benzamide?
5-amino-2-(dicyclopropylmethylamino)benzamide has a molecular weight of 245.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dicyclopropylmethylamino)benzamide is sourced from PubChem (CID 61481275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).