5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C26H34N4O5 — CID 155583753

IUPAC5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C=O)C(=O)c1cc(OCCCCCCc2ccc(N)nc2)ccc1C
InChIInChI=1S/C26H34N4O5/c1-19-10-12-21(35-15-6-4-3-5-8-20-11-13-24(27)29-17-20)16-22(19)26(34)30(18-32)23(9-7-14-31)25(33)28-2/h10-14,16-18,23H,3-9,15H2,1-2H3,(H2,27,29)(H,28,33)
InChIKeyOYBYBHZASVVIQR-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.85
Rot. Bonds15

About 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 155583753) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound Name5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID155583753
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C=O)C(=O)c1cc(OCCCCCCc2ccc(N)nc2)ccc1C
InChIInChI=1S/C26H34N4O5/c1-19-10-12-21(35-15-6-4-3-5-8-20-11-13-24(27)29-17-20)16-22(19)26(34)30(18-32)23(9-7-14-31)25(33)28-2/h10-14,16-18,23H,3-9,15H2,1-2H3,(H2,27,29)(H,28,33)
InChIKeyOYBYBHZASVVIQR-UHFFFAOYSA-N
XLogP2.85
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(diformylamino)-N-methyl-5-oxopentanamide;4-[5-(3,4-dimethylphenoxy)pentoxy]benzoic acid
CID 156711601
tert-butyl 3-[2-[[2-[3-[formyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]-4-methylanilino]acetyl]amino]ethoxy]propanoate
CID 167470035
2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 142365374
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170737850
tert-butyl 4-[5-(4-formyl-3-methylphenoxy)pentoxy]benzoate;ethane;2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 156713200
(Z)-but-2-ene;N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]benzamide
CID 176700029
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
3-acetyloxypropyl 5-(6-amino-3-pyridinyl)pentanoate
CID 142208555
acetylene;pentanedial;N,N',2-trimethyl-4-(5-oxopentoxy)benzohydrazide
CID 155584061
2-amino-4-(3-oxopropoxy)benzamide
CID 142889118
5-[3-(2-methylpropylamino)butyl]pyridin-2-amine
CID 69324274
2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 142365578

Frequently Asked Questions

What is the IUPAC name of 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 155583753) is 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CNC(=O)C(CCC=O)N(C=O)C(=O)c1cc(OCCCCCCc2ccc(N)nc2)ccc1C.
What is the InChIKey of 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is OYBYBHZASVVIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-19-10-12-21(35-15-6-4-3-5-8-20-11-13-24(27)29-17-20)16-22(19)26(34)30(18-32)23(9-7-14-31)25(33)28-2/h10-14,16-18,23H,3-9,15H2,1-2H3,(H2,27,29)(H,28,33).
What are the key properties of 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 2.85, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 155583753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).