3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide

C30H30N4O4 — CID 164624876

IUPAC3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
SMILESO=C(NCCOCCOCCNC(=O)c1cccc(-c2cccnc2)c1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C30H30N4O4/c35-29(25-7-1-5-23(19-25)27-9-3-11-31-21-27)33-13-15-37-17-18-38-16-14-34-30(36)26-8-2-6-24(20-26)28-10-4-12-32-22-28/h1-12,19-22H,13-18H2,(H,33,35)(H,34,36)
InChIKeyKBJVRMBHBBJTSO-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.00
Rot. Bonds13

About 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide

3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 164624876) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
PubChem CID164624876
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
SMILESO=C(NCCOCCOCCNC(=O)c1cccc(-c2cccnc2)c1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C30H30N4O4/c35-29(25-7-1-5-23(19-25)27-9-3-11-31-21-27)33-13-15-37-17-18-38-16-14-34-30(36)26-8-2-6-24(20-26)28-10-4-12-32-22-28/h1-12,19-22H,13-18H2,(H,33,35)(H,34,36)
InChIKeyKBJVRMBHBBJTSO-UHFFFAOYSA-N
XLogP4.00
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
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CID 58342254
3-pyridin-3-ylbenzamide;hydrochloride
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N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide
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N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide
CID 143171192
3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
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3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
CID 60622603
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 114469543
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317642

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide (CID 164624876) is 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide is O=C(NCCOCCOCCNC(=O)c1cccc(-c2cccnc2)c1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is KBJVRMBHBBJTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c35-29(25-7-1-5-23(19-25)27-9-3-11-31-21-27)33-13-15-37-17-18-38-16-14-34-30(36)26-8-2-6-24(20-26)28-10-4-12-32-22-28/h1-12,19-22H,13-18H2,(H,33,35)(H,34,36).
What are the key properties of 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide?
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 510.59 g/mol, XLogP of 4.00, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 164624876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).