N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride

C18H24Cl2N4O3 — CID 118742123

IUPACN-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cncc2c1CCN(C1CCOCC1)C2)c1ccno1
InChIInChI=1S/C18H22N4O3.2ClH/c23-18(17-1-5-21-25-17)20-11-13-9-19-10-14-12-22(6-2-16(13)14)15-3-7-24-8-4-15;;/h1,5,9-10,15H,2-4,6-8,11-12H2,(H,20,23);2*1H
InChIKeyODXFFFYQOOWICG-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.38
Rot. Bonds4

About N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride

N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride (PubChem CID 118742123) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride
PubChem CID118742123
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC NameN-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cncc2c1CCN(C1CCOCC1)C2)c1ccno1
InChIInChI=1S/C18H22N4O3.2ClH/c23-18(17-1-5-21-25-17)20-11-13-9-19-10-14-12-22(6-2-16(13)14)15-3-7-24-8-4-15;;/h1,5,9-10,15H,2-4,6-8,11-12H2,(H,20,23);2*1H
InChIKeyODXFFFYQOOWICG-UHFFFAOYSA-N
XLogP2.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride (CID 118742123) is N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1cncc2c1CCN(C1CCOCC1)C2)c1ccno1.
What is the InChIKey of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
The InChIKey is ODXFFFYQOOWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.2ClH/c23-18(17-1-5-21-25-17)20-11-13-9-19-10-14-12-22(6-2-16(13)14)15-3-7-24-8-4-15;;/h1,5,9-10,15H,2-4,6-8,11-12H2,(H,20,23);2*1H.
What are the key properties of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride has a molecular weight of 415.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 118742123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).