4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride

C22H25Cl2N3O2 — CID 120940738

IUPAC4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)CCOCC1
InChIInChI=1S/C22H23N3O2.2ClH/c23-15-22(10-12-27-13-11-22)21(26)25-20-7-3-6-19(24-20)18-9-8-16-4-1-2-5-17(16)14-18;;/h1-9,14H,10-13,15,23H2,(H,24,25,26);2*1H
InChIKeyUIJJKDAKJLIJLB-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.44
Rot. Bonds4

About 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120940738) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
PubChem CID120940738
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)CCOCC1
InChIInChI=1S/C22H23N3O2.2ClH/c23-15-22(10-12-27-13-11-22)21(26)25-20-7-3-6-19(24-20)18-9-8-16-4-1-2-5-17(16)14-18;;/h1-9,14H,10-13,15,23H2,(H,24,25,26);2*1H
InChIKeyUIJJKDAKJLIJLB-UHFFFAOYSA-N
XLogP4.44
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
CID 120937717
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
CID 120941121
2,2-difluoro-N-(6-naphthalen-2-yl-2-pyridinyl)acetamide
CID 154807933
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939461
4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
4-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120918759
4-(aminomethyl)-N-[3-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922415
4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120917994

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride (CID 120940738) is 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is UIJJKDAKJLIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.2ClH/c23-15-22(10-12-27-13-11-22)21(26)25-20-7-3-6-19(24-20)18-9-8-16-4-1-2-5-17(16)14-18;;/h1-9,14H,10-13,15,23H2,(H,24,25,26);2*1H.
What are the key properties of 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120940738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).