N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride

C18H24Cl2N4O3 — CID 118742098

IUPACN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccno1
InChIInChI=1S/C18H22N4O3.2ClH/c23-18(17-1-4-21-25-17)20-9-14-7-19-8-15-11-22(5-2-16(14)15)10-13-3-6-24-12-13;;/h1,4,7-8,13H,2-3,5-6,9-12H2,(H,20,23);2*1H
InChIKeyQLUPHQLYFOUCJC-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.24
Rot. Bonds5

About N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride

N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride (PubChem CID 118742098) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride
PubChem CID118742098
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC NameN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccno1
InChIInChI=1S/C18H22N4O3.2ClH/c23-18(17-1-4-21-25-17)20-9-14-7-19-8-15-11-22(5-2-16(14)15)10-13-3-6-24-12-13;;/h1,4,7-8,13H,2-3,5-6,9-12H2,(H,20,23);2*1H
InChIKeyQLUPHQLYFOUCJC-UHFFFAOYSA-N
XLogP2.24
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride (CID 118742098) is N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccno1.
What is the InChIKey of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
The InChIKey is QLUPHQLYFOUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.2ClH/c23-18(17-1-4-21-25-17)20-9-14-7-19-8-15-11-22(5-2-16(14)15)10-13-3-6-24-12-13;;/h1,4,7-8,13H,2-3,5-6,9-12H2,(H,20,23);2*1H.
What are the key properties of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride?
N-[[7-(oxolan-3-ylmethyl)-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 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 118742098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).