3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide

C19H24N6O3 — CID 142167508

IUPAC3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide
SMILESC=NC(=O)c1ccc(NC(=O)Nc2cnc(C)cn2)c(OCCCN(C)C)c1
InChIInChI=1S/C19H24N6O3/c1-13-11-22-17(12-21-13)24-19(27)23-15-7-6-14(18(26)20-2)10-16(15)28-9-5-8-25(3)4/h6-7,10-12H,2,5,8-9H2,1,3-4H3,(H2,22,23,24,27)
InChIKeyUZISVVQUNPZLED-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.60
Rot. Bonds8

About 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide

3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide (PubChem CID 142167508) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide
PubChem CID142167508
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide
SMILESC=NC(=O)c1ccc(NC(=O)Nc2cnc(C)cn2)c(OCCCN(C)C)c1
InChIInChI=1S/C19H24N6O3/c1-13-11-22-17(12-21-13)24-19(27)23-15-7-6-14(18(26)20-2)10-16(15)28-9-5-8-25(3)4/h6-7,10-12H,2,5,8-9H2,1,3-4H3,(H2,22,23,24,27)
InChIKeyUZISVVQUNPZLED-UHFFFAOYSA-N
XLogP2.60
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide (CID 142167508) is 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide is C=NC(=O)c1ccc(NC(=O)Nc2cnc(C)cn2)c(OCCCN(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide?
The InChIKey is UZISVVQUNPZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-13-11-22-17(12-21-13)24-19(27)23-15-7-6-14(18(26)20-2)10-16(15)28-9-5-8-25(3)4/h6-7,10-12H,2,5,8-9H2,1,3-4H3,(H2,22,23,24,27).
What are the key properties of 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide?
3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide is sourced from PubChem (CID 142167508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).