4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride

C15H21Cl3N4O2 — CID 120938594

IUPAC4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCc2cn3cc(Cl)ccc3n2)CCOCC1
InChIInChI=1S/C15H19ClN4O2.2ClH/c16-11-1-2-13-19-12(9-20(13)8-11)7-18-14(21)15(10-17)3-5-22-6-4-15;;/h1-2,8-9H,3-7,10,17H2,(H,18,21);2*1H
InChIKeyVXRIGFKBRCPBLM-UHFFFAOYSA-N
MW395.72 g/mol
LogP2.20
Rot. Bonds4

About 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120938594) has the molecular formula C15H21Cl3N4O2 and a molecular weight of 395.72 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120938594
Molecular FormulaC15H21Cl3N4O2
Molecular Weight395.72 g/mol
Exact Mass394.07
IUPAC Name4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCc2cn3cc(Cl)ccc3n2)CCOCC1
InChIInChI=1S/C15H19ClN4O2.2ClH/c16-11-1-2-13-19-12(9-20(13)8-11)7-18-14(21)15(10-17)3-5-22-6-4-15;;/h1-2,8-9H,3-7,10,17H2,(H,18,21);2*1H
InChIKeyVXRIGFKBRCPBLM-UHFFFAOYSA-N
XLogP2.20
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120924757
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120924765
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride (CID 120938594) is 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)NCc2cn3cc(Cl)ccc3n2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is VXRIGFKBRCPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2.2ClH/c16-11-1-2-13-19-12(9-20(13)8-11)7-18-14(21)15(10-17)3-5-22-6-4-15;;/h1-2,8-9H,3-7,10,17H2,(H,18,21);2*1H.
What are the key properties of 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 395.72 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).