N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C25H26N4O2 — CID 41463647

IUPACN-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccc(C(=O)NCCN(C)c4ccccc4)cc3)nc12
InChIInChI=1S/C25H26N4O2/c1-19-7-6-15-29-17-21(27-24(19)29)18-31-23-12-10-20(11-13-23)25(30)26-14-16-28(2)22-8-4-3-5-9-22/h3-13,15,17H,14,16,18H2,1-2H3,(H,26,30)
InChIKeyVHGJPVHFVQDVLY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.09
Rot. Bonds8

About N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 41463647) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID41463647
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccc(C(=O)NCCN(C)c4ccccc4)cc3)nc12
InChIInChI=1S/C25H26N4O2/c1-19-7-6-15-29-17-21(27-24(19)29)18-31-23-12-10-20(11-13-23)25(30)26-14-16-28(2)22-8-4-3-5-9-22/h3-13,15,17H,14,16,18H2,1-2H3,(H,26,30)
InChIKeyVHGJPVHFVQDVLY-UHFFFAOYSA-N
XLogP4.09
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 41463647) is N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccc(C(=O)NCCN(C)c4ccccc4)cc3)nc12.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is VHGJPVHFVQDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19-7-6-15-29-17-21(27-24(19)29)18-31-23-12-10-20(11-13-23)25(30)26-14-16-28(2)22-8-4-3-5-9-22/h3-13,15,17H,14,16,18H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 41463647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).