4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide

C18H22N4O3 — CID 162674075

IUPAC4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccccn1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-16-7-6-14(18(24)21-10-4-8-19)11-17(16)25-12-15-5-2-3-9-20-15/h2-3,5-7,9,11H,4,8,10,12,19H2,1H3,(H,21,24)(H,22,23)
InChIKeyCVZQDIOSENVPKF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.70
Rot. Bonds8

About 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide

4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide (PubChem CID 162674075) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide
PubChem CID162674075
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccccn1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-16-7-6-14(18(24)21-10-4-8-19)11-17(16)25-12-15-5-2-3-9-20-15/h2-3,5-7,9,11H,4,8,10,12,19H2,1H3,(H,21,24)(H,22,23)
InChIKeyCVZQDIOSENVPKF-UHFFFAOYSA-N
XLogP1.70
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide (CID 162674075) is 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide is CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccccn1.
What is the InChIKey of 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is CVZQDIOSENVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)22-16-7-6-14(18(24)21-10-4-8-19)11-17(16)25-12-15-5-2-3-9-20-15/h2-3,5-7,9,11H,4,8,10,12,19H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide?
4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-aminopropyl)-3-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 162674075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).