N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride

C22H28Cl2N4O2 — CID 119565911

About N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride (PubChem CID 119565911) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
• PubChem CID: 119565911
• Molecular Formula: C22H28Cl2N4O2
• Molecular Weight: 451.40 g/mol
• Exact Mass: 450.16
• IUPAC Name: N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
• SMILES: Cc1ccc2nc(COc3cccc(C(=O)NC4(CN)CCCC4)c3)cn2c1.Cl.Cl
• InChI: InChI=1S/C22H26N4O2.2ClH/c1-16-7-8-20-24-18(13-26(20)12-16)14-28-19-6-4-5-17(11-19)21(27)25-22(15-23)9-2-3-10-22;;/h4-8,11-13H,2-3,9-10,14-15,23H2,1H3,(H,25,27);2*1H
• InChIKey: IKYDDPDSWPGITD-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 81.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.40
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?

The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride (CID 119565911) is N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride.

What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?

The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride is Cc1ccc2nc(COc3cccc(C(=O)NC4(CN)CCCC4)c3)cn2c1.Cl.Cl.

What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?

The InChIKey is IKYDDPDSWPGITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.2ClH/c1-16-7-8-20-24-18(13-26(20)12-16)14-28-19-6-4-5-17(11-19)21(27)25-22(15-23)9-2-3-10-22;;/h4-8,11-13H,2-3,9-10,14-15,23H2,1H3,(H,25,27);2*1H.

What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?

N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride is sourced from PubChem (CID 119565911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).