2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide

C18H23F2N3O3 — CID 131689692

IUPAC2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C18H23F2N3O3/c1-22(2)16(24)11-26-10-14-8-21-7-13-9-23(4-3-15(13)14)17(25)12-5-18(19,20)6-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyFNGRJQRVXAGYQU-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.62
Rot. Bonds5

About 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide

2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 131689692) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide
PubChem CID131689692
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C18H23F2N3O3/c1-22(2)16(24)11-26-10-14-8-21-7-13-9-23(4-3-15(13)14)17(25)12-5-18(19,20)6-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyFNGRJQRVXAGYQU-UHFFFAOYSA-N
XLogP1.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 97406097
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 97463756
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
CID 97463759
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide
CID 97463788
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463797
N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 118747168
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746102
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-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746543
1-[4,4-Difluoro-3-(pyridin-4-ylmethoxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 124051357
3-[({1-[(2,2,3,3-Tetrafluoropropoxy)acetyl]piperidin-4-yl}oxy)methyl]pyridine
CID 91774094
Cyclobutyl-[4,4-difluoro-3-(pyridin-3-ylmethoxymethyl)piperidin-1-yl]methanone
CID 124051350

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide (CID 131689692) is 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is FNGRJQRVXAGYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-22(2)16(24)11-26-10-14-8-21-7-13-9-23(4-3-15(13)14)17(25)12-5-18(19,20)6-12/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide?
2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 367.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 131689692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).