N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide

C24H20N4O3 — CID 46948551

IUPACN-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)c1
InChIInChI=1S/C24H20N4O3/c1-15(30)17-6-8-18(9-7-17)23-12-25-24-22(26-14-29)11-20(13-28(23)24)19-4-3-5-21(10-19)27-16(2)31/h3-14H,1-2H3,(H,26,29)(H,27,31)
InChIKeyZDLAZIHPTQPGLG-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.40
Rot. Bonds6

About N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide

N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 46948551) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
PubChem CID46948551
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)c1
InChIInChI=1S/C24H20N4O3/c1-15(30)17-6-8-18(9-7-17)23-12-25-24-22(26-14-29)11-20(13-28(23)24)19-4-3-5-21(10-19)27-16(2)31/h3-14H,1-2H3,(H,26,29)(H,27,31)
InChIKeyZDLAZIHPTQPGLG-UHFFFAOYSA-N
XLogP4.40
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide (CID 46948551) is N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)c1.
What is the InChIKey of N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is ZDLAZIHPTQPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-15(30)17-6-8-18(9-7-17)23-12-25-24-22(26-14-29)11-20(13-28(23)24)19-4-3-5-21(10-19)27-16(2)31/h3-14H,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-acetylphenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 46948551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).