N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

C23H26F6N4O6 — CID 118745936

IUPACN,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N4O2.2C2HF3O2/c1-22(2)19(24)14-25-13-16-10-20-9-15-11-23(8-6-18(15)16)12-17-5-3-4-7-21-17;2*3-2(4,5)1(6)7/h3-5,7,9-10H,6,8,11-14H2,1-2H3;2*(H,6,7)
InChIKeyUESVVQGUXLZPPW-UHFFFAOYSA-N
MW568.47 g/mol
LogP2.91
Rot. Bonds6

About N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745936) has the molecular formula C23H26F6N4O6 and a molecular weight of 568.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745936
Molecular FormulaC23H26F6N4O6
Molecular Weight568.47 g/mol
Exact Mass568.18
IUPAC NameN,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N4O2.2C2HF3O2/c1-22(2)19(24)14-25-13-16-10-20-9-15-11-23(8-6-18(15)16)12-17-5-3-4-7-21-17;2*3-2(4,5)1(6)7/h3-5,7,9-10H,6,8,11-14H2,1-2H3;2*(H,6,7)
InChIKeyUESVVQGUXLZPPW-UHFFFAOYSA-N
XLogP2.91
TPSA133.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381913
N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 97463743
N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463789
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746102
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746408
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746538
5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 118747063
N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747064
5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 118747143
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747164
5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tetrakis(2,2,2-trifluoroacetic acid)
CID 118747268
1-[4-(2,4-Difluorophenyl)piperazin-1-yl]-2-(pyridin-3-ylmethoxy)ethanone
CID 24763205

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 118745936) is N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UESVVQGUXLZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2C2HF3O2/c1-22(2)19(24)14-25-13-16-10-20-9-15-11-23(8-6-18(15)16)12-17-5-3-4-7-21-17;2*3-2(4,5)1(6)7/h3-5,7,9-10H,6,8,11-14H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 568.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).