4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride

C20H28Cl2N4O2 — CID 120939893

IUPAC4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCOCC1
InChIInChI=1S/C20H26N4O2.2ClH/c21-14-20(8-11-26-12-9-20)19(25)22-16-6-4-15(5-7-16)17-13-24-10-2-1-3-18(24)23-17;;/h4-7,13H,1-3,8-12,14,21H2,(H,22,25);2*1H
InChIKeyWWUIRKWABPDSNR-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.42
Rot. Bonds4

About 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120939893) has the molecular formula C20H28Cl2N4O2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120939893
Molecular FormulaC20H28Cl2N4O2
Molecular Weight427.38 g/mol
Exact Mass426.16
IUPAC Name4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCOCC1
InChIInChI=1S/C20H26N4O2.2ClH/c21-14-20(8-11-26-12-9-20)19(25)22-16-6-4-15(5-7-16)17-13-24-10-2-1-3-18(24)23-17;;/h4-7,13H,1-3,8-12,14,21H2,(H,22,25);2*1H
InChIKeyWWUIRKWABPDSNR-UHFFFAOYSA-N
XLogP3.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939461
2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 71937815
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939965
4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
CID 120937859
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide
CID 120939966
3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
CID 119953344
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
5-[[4-(aminomethyl)oxane-4-carbonyl]amino]pyridine-2-carboxylic acid
CID 115439810
4-(aminomethyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938863
4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride (CID 120939893) is 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is WWUIRKWABPDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.2ClH/c21-14-20(8-11-26-12-9-20)19(25)22-16-6-4-15(5-7-16)17-13-24-10-2-1-3-18(24)23-17;;/h4-7,13H,1-3,8-12,14,21H2,(H,22,25);2*1H.
What are the key properties of 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 427.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).