2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

C18H23F6N3O6 — CID 155839827

IUPAC2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCOCc1cncc2c1CCN(CC(=O)N(C)C)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O2.2C2HF3O2/c1-16(2)14(18)9-17-5-4-13-11(8-17)6-15-7-12(13)10-19-3;2*3-2(4,5)1(6)7/h6-7H,4-5,8-10H2,1-3H3;2*(H,6,7)
InChIKeyHVHJYBYIGPPPFT-UHFFFAOYSA-N
MW491.39 g/mol
LogP1.94
Rot. Bonds4

About 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155839827) has the molecular formula C18H23F6N3O6 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155839827
Molecular FormulaC18H23F6N3O6
Molecular Weight491.39 g/mol
Exact Mass491.15
IUPAC Name2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCOCc1cncc2c1CCN(CC(=O)N(C)C)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O2.2C2HF3O2/c1-16(2)14(18)9-17-5-4-13-11(8-17)6-15-7-12(13)10-19-3;2*3-2(4,5)1(6)7/h6-7H,4-5,8-10H2,1-3H3;2*(H,6,7)
InChIKeyHVHJYBYIGPPPFT-UHFFFAOYSA-N
XLogP1.94
TPSA120.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (CID 155839827) is 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is COCc1cncc2c1CCN(CC(=O)N(C)C)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is HVHJYBYIGPPPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.2C2HF3O2/c1-16(2)14(18)9-17-5-4-13-11(8-17)6-15-7-12(13)10-19-3;2*3-2(4,5)1(6)7/h6-7H,4-5,8-10H2,1-3H3;2*(H,6,7).
What are the key properties of 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 491.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155839827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).