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)

C25H29F9N4O7 — CID 118747064

IUPACN,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCOCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O.3C2HF3O2/c1-22(2)9-10-24-15-17-12-20-11-16-13-23(8-6-19(16)17)14-18-5-3-4-7-21-18;3*3-2(4,5)1(6)7/h3-5,7,11-12H,6,8-10,13-15H2,1-2H3;3*(H,6,7)
InChIKeyLRYIQZRXHJHKNU-UHFFFAOYSA-N
MW668.51 g/mol
LogP4.01
Rot. Bonds7

About 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)

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) (PubChem CID 118747064) has the molecular formula C25H29F9N4O7 and a molecular weight of 668.51 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
PubChem CID118747064
Molecular FormulaC25H29F9N4O7
Molecular Weight668.51 g/mol
Exact Mass668.19
IUPAC NameN,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCOCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O.3C2HF3O2/c1-22(2)9-10-24-15-17-12-20-11-16-13-23(8-6-19(16)17)14-18-5-3-4-7-21-18;3*3-2(4,5)1(6)7/h3-5,7,11-12H,6,8-10,13-15H2,1-2H3;3*(H,6,7)
InChIKeyLRYIQZRXHJHKNU-UHFFFAOYSA-N
XLogP4.01
TPSA153.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.51
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381913
5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381962
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
5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463836
9-[(2-Methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118745622
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
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
5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 118747143

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]ethanamine;tris(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]ethanamine;tris(2,2,2-trifluoroacetic acid) (CID 118747064) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CN(C)CCOCc1cncc2c1CCN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.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]ethanamine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is LRYIQZRXHJHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.3C2HF3O2/c1-22(2)9-10-24-15-17-12-20-11-16-13-23(8-6-19(16)17)14-18-5-3-4-7-21-18;3*3-2(4,5)1(6)7/h3-5,7,11-12H,6,8-10,13-15H2,1-2H3;3*(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]ethanamine;tris(2,2,2-trifluoroacetic acid)?
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) has a molecular weight of 668.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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]ethanamine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).